(E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Formula:C28H21N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C28H21N4OClS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1cn(Cc(cc2)ccc2Cl)c2c1cccc2
InChI	InChI=1S/C28H21ClN4OS/c29-21-11-9-18(10-12-21)16-33-17-20(22-5-1-3-7-25(22)33)13-19(14-30)27(34)32-28-24(15-31)23-6-2-4-8-26(23)35-28/h1,3,5,7,9-13,17H,2,4,6,8,16H2,(H,32,34)
InChIK	ASAVVKWEGOYIFM-UHFFFAOYSA-N
TotalMolweight	497.021
Molweight	497.021
MonoisotopicMass	496.112458
CLogP	6.1726
CLogS	-7.509
H Acceptors	5
H Donors	1
TotalSurfaceArea	380.58
Relative PSA	0.20718
PolarSurfaceArea	109.85
Druglikeness	-3.7182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide | 2 - (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

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