53377414
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6.3442
8.1962
8.1846
6.426
6.426
7.3244
5.5321
5.5321
3.8
3.8
7.3321
4.666
4.666
8.1962
7.3321
8.1923
2.9061
2.9061
9.0641
9.0564
2
2
9.9282
9.9243
7.3205
6.4526
5.5406
4.8686
5.3653
4.666
4.666
6.4188
2.9132
2.9132
9.0665
9.054
1.4643
1.4643
6.7886
10.4663
10.4601
5.414
4.2522
5.1109
-3.231
2.8047
-2.2436
2.8152
0.7459
-0.7403
2.2805
1.2805
2.2805
1.2805
1.2597
2.7805
0.7805
0.7564
2.3014
-0.2436
2.8152
0.7459
1.253
-0.7469
2.3014
1.2597
0.7497
-0.2503
-1.7402
-2.2369
-1.8266
-2.5672
-3.4352
3.4005
0.1605
3.4352
3.4352
0.1259
1.873
-1.3669
2.6134
0.9477
-0.4282
1.0576
-0.5623
-1.2197
-2.5
-4.0006
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
681
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07B30004000000000000000000000000001200000003060C1000000000000C1D400001E04100000000C0885D800B0C1C2C00008AC0325725400830080250A104888192074D80860B2E09591942108609400E8C9871C88808E88000040001200201000008000240040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(2-oxo-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(2-oxo-1H-benzo[g]quinoxalin-3-yl)phenyl]-2-thiophenecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(2-oxo-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(2-oxidanylidene-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(2-keto-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C23H15N3O2S/c27-22(20-10-5-11-29-20)25-17-9-4-3-8-16(17)21-23(28)26-19-13-15-7-2-1-6-14(15)12-18(19)24-21/h1-13H,(H,25,27)(H,26,28)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
GTGSDZFHWYEEHL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
397.088498
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C23H15N3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
397.4491
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C4=CC=CC=C4NC(=O)C5=CC=CS5
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C4=CC=CC=C4NC(=O)C5=CC=CS5
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
98.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
397.088498
29
0
0
0
0
0
0
0
1
10