1782242
  -OEChem-05122403082D

 42 45  0     0  0  0  0  0  0999 V2000
    2.0280   -2.9932    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -0.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3424    1.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0637    0.9228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.0068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.5456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0147    1.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5989   -0.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7579    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3205    1.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4251    2.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5115    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    2.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2809    0.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5272   -0.5811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5033    1.6136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7237    1.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103   -1.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900   -1.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3327    0.3305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0864    1.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    2.8965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3826    3.5997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957    2.9210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    2.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.1832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.1832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -2.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.6132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1782242

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
593

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAEAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAAABwAAAHgIQAAAACA7hkCYxxIPABECIAKVSUACCCAAtJwAIiAGObsiOZjLFt7ufOSjsxzPY6ee8AAAAAAAAAAIAAAAAAAAABAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5E)-3-(3-chlorophenyl)-5-[(5-morpholino-2-furyl)methylene]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(5E)-3-(3-chlorophenyl)-5-[[5-(4-morpholinyl)-2-furanyl]methylidene]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>E</I>)-3-(3-chlorophenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
(5E)-3-(3-chlorophenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5E)-3-(3-chlorophenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5E)-3-(3-chlorophenyl)-5-[(5-morpholino-2-furyl)methylene]hydantoin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16ClN3O4/c19-12-2-1-3-13(10-12)22-17(23)15(20-18(22)24)11-14-4-5-16(26-14)21-6-8-25-9-7-21/h1-5,10-11H,6-9H2,(H,20,24)/b15-11+

> <PUBCHEM_IUPAC_INCHIKEY>
OSSCOCGGWZTOFR-RVDMUPIBSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
373.0829337

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16ClN3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
373.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C2=CC=C(O2)C=C3C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl

> <PUBCHEM_CACTVS_TPSA>
75

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.0829337

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
14  16  8
15  16  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
3  13  8
3  15  8

$$$$