2-[[(7Z)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetamide

Formula:C20H15N3OS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(7Z)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	2-[[(7Z)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetamide
MolecularFormula	C20H15N3OS3
Smiles	NC(CSc1nc(/C(/CC2)=C\c3cccs3)c2c(-c2cccs2)c1C#N)=O
InChI	InChI=1S/C20H15N3OS3/c21-10-15-18(16-4-2-8-26-16)14-6-5-12(9-13-3-1-7-25-13)19(14)23-20(15)27-11-17(22)24/h1-4,7-9H,5-6,11H2,(H2,22,24)
InChIK	CPVLGXNPIFRHAS-UHFFFAOYSA-N
TotalMolweight	409.557
Molweight	409.557
MonoisotopicMass	409.037722
CLogP	3.8067
CLogS	-6.213
H Acceptors	4
H Donors	1
TotalSurfaceArea	301.38
Relative PSA	0.36847
PolarSurfaceArea	161.55
Druglikeness	-2.7323
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[[(7Z)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetamide | 2 - 2-[[(7Z)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetamide

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