2371529
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5.8041
2.3601
5.4935
11.5771
7.5771
10.5771
7.5771
3.5962
3.0084
10.0771
11.5771
10.0771
9.0771
12.0771
10.5771
8.5771
4.5472
4.5472
6.0771
3.5962
5.4935
7.0771
3.2872
3.2872
3.9563
2.309
2.309
3.9563
3.6473
2
2
3.6473
2.6691
2.6691
10.6597
9.9694
12.1597
11.4694
9.6021
9.6021
8.4945
9.1847
12.552
12.552
9.9945
10.6847
9.1597
8.4694
7.2671
4.5628
1.8942
1.8942
4.5628
4.0621
1.3936
1.3936
4.0621
2.4775
1.6137
4.4717
-0.9463
-4.4717
0.7245
-2.7396
-1.0076
-0.9506
-0.1416
-1.8736
-2.7396
-3.6057
-1.8736
-3.6057
-4.4717
-1.0076
0.3584
-0.6416
-0.1416
0.6675
0.6632
-0.1416
1.6185
-1.9016
2.3617
1.8264
-2.1095
-2.6448
3.3127
2.7775
-3.0606
-3.5958
3.5206
-3.8037
-1.6616
-1.263
-2.5276
-2.129
-3.2071
-4.0042
-2.0857
-2.4842
-4.0042
-3.2071
-4.6837
-5.0823
-0.7955
-0.397
-1.5445
2.2327
1.3657
-1.6488
-2.5159
3.7735
2.9064
-3.1895
-4.0566
-4.3934
8
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3
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9
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
671
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07BB0004600000000000000000000000001624000003C608000000016000001FC00001E06180000000C0AE1DE2630C1D3C80408AE03257254009314A0650F181898B12866D80A20F2E1D7D187A50C609E00F8CD071889C09E04000000000000000800000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-chloro-3-(4-chlorophenyl)-N-(3-morpholinopropyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-chloro-3-(4-chlorophenyl)-N-[3-(4-morpholinyl)propyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-chloro-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-chloranyl-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-chloro-3-(4-chlorophenyl)-N-(3-morpholinopropyl)-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C25H24Cl2N4O2S/c26-18-9-7-17(8-10-18)22-20-21(27)23(24(32)28-11-4-12-30-13-15-33-16-14-30)34-25(20)31(29-22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H,28,32)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
STOWJYYRPAWSPO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
5.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
514.099702
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C25H24Cl2N4O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
515.45466
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1COCCN1CCCNC(=O)C2=C(C3=C(S2)N(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)Cl
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1COCCN1CCCNC(=O)C2=C(C3=C(S2)N(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)Cl
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
87.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
514.099702
34
0
0
0
0
0
0
0
1
2