4520254
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9.6517
5.9236
5.5963
10.3807
8.3916
7.8916
6.1316
4.4374
10.5617
11.5562
7.3916
7.0826
7.3916
6.4406
8.7006
8.9794
7.8916
5.3884
9.9739
7.0256
8.7576
7.0256
8.7576
7.8916
3.6942
3.9021
2.7431
3.159
2
2.2079
6.4816
6.6322
5.8509
6.249
8.0116
7.3916
6.7716
9.1503
8.4222
6.4887
9.2946
5.334
4.3084
6.4887
9.2946
10.3095
7.8916
11.9207
11.8084
4.4918
2.6142
3.2879
1.4103
1.7472
-0.0306
-1.0088
1.6167
1.0204
1.2295
-0.3094
-0.0306
0.3295
2.743
2.6385
1.2295
0.2784
2.2295
1.5385
0.2784
2.0385
-1.3094
0.6385
1.934
-1.8094
-1.8094
-2.8094
-2.8094
-3.3094
0.9986
1.9768
0.6896
2.6459
1.3587
2.3369
0.8795
2.1281
1.7301
0.9488
2.2295
2.8495
2.2295
2.6345
2.3103
-1.4994
-1.4994
-1.2003
-0.2769
-3.1194
-3.1194
3.3094
-3.9294
3.14
2.072
2.1684
0.0832
3.2524
1.1672
2.7518
3
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
645
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07BB800000000000000000000000000000160000000306000000000000000014000001E001C0800000C88C1900433C083F200008800255250008200002102023AA800886488886022C091B1942008689702C8C8271000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[1-(2-hydrazino-2-oxo-ethyl)-5,5-dimethyl-2-oxo-3-phenyl-imidazolidin-4-yl]-1-hydroxy-3-phenyl-urea
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[1-(2-hydrazinyl-2-oxoethyl)-5,5-dimethyl-2-oxo-3-phenyl-4-imidazolidinyl]-1-hydroxy-3-phenylurea
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[1-(2-hydrazinyl-2-oxoethyl)-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[1-(2-diazanyl-2-oxidanylidene-ethyl)-5,5-dimethyl-2-oxidanylidene-3-phenyl-imidazolidin-4-yl]-1-oxidanyl-3-phenyl-urea
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[1-(2-hydrazino-2-keto-ethyl)-2-keto-5,5-dimethyl-3-phenyl-imidazolidin-4-yl]-1-hydroxy-3-phenyl-urea
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H24N6O4/c1-20(2)17(26(30)18(28)22-14-9-5-3-6-10-14)25(15-11-7-4-8-12-15)19(29)24(20)13-16(27)23-21/h3-12,17,30H,13,21H2,1-2H3,(H,22,28)(H,23,27)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
TYSWYPAABBXHFB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
0.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
412.185903
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H24N6O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
412.44236
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1(C(N(C(=O)N1CC(=O)NN)C2=CC=CC=C2)N(C(=O)NC3=CC=CC=C3)O)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1(C(N(C(=O)N1CC(=O)NN)C2=CC=CC=C2)N(C(=O)NC3=CC=CC=C3)O)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
131
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
412.185903
30
1
0
1
0
0
0
0
1
4