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6.4103
2.866
7.6995
7.9939
3.732
7.9939
6.0531
4.5981
5.4641
3.732
5.4641
4.5981
6.4103
6.9939
2.866
6.721
2
8.4939
9.4939
9.9939
9.4939
10.9939
9.9939
11.4939
10.9939
4.9966
4.1996
3.52
3.1215
4.1996
4.9966
8.3039
2.31
1.4631
1.69
10.0765
9.3863
6.2458
5.4465
8.8739
11.3039
9.6839
12.1139
11.3039
-0.6171
-1.8124
2.1491
-1.5444
-0.3124
0.1876
2.6872
1.1876
0.6876
0.6876
-0.3124
-0.8124
0.9923
0.1876
-0.8124
1.9429
-0.3124
-0.6784
-0.6784
-1.5444
-2.4105
-1.5444
-3.2765
-2.4105
-3.2765
1.6626
1.6626
1.2702
0.58
-1.2873
-1.2873
0.7245
0.2245
-0.0024
-0.8493
-0.4664
-0.0678
3.2765
2.5593
-2.4105
-1.0075
-3.8134
-2.4105
-3.8134
8
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8
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1
1
9
9
13
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25
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
536
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B30004000000000000000000000000001200000003C400000000000005801C000001E04100000000C00C1D804328183C000088C02215250008300806508190888110844C808203AE0D591842188609600E8C9471889808E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
6-acetyl-2-[(1-oxo-2-phenylethyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
6-ethanoyl-2-(2-phenylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
6-acetyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C18H19N3O3S/c1-11(22)21-8-7-13-14(10-21)25-18(16(13)17(19)24)20-15(23)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,19,24)(H,20,23)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
VCGUYYMHXBKXDN-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
1.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
357.114712
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C18H19N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
357.42676
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=CC=C3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
121
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
357.114712
25
0
0
0
0
0
0
0
1
12