(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylphenyl)prop-2-enamide

Formula:C25H19N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylphenyl)prop-2-enamide
MolecularFormula	C25H19N3OS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C25H19N3OS/c26-15-20(14-17-10-12-19(13-11-17)18-6-2-1-3-7-18)24(29)28-25-22(16-27)21-8-4-5-9-23(21)30-25/h1-3,6-7,10-14H,4-5,8-9H2,(H,28,29)
InChIK	FBFLSYZNLWJWFX-UHFFFAOYSA-N
TotalMolweight	409.512
Molweight	409.512
MonoisotopicMass	409.124882
CLogP	5.6961
CLogS	-7.881
H Acceptors	4
H Donors	1
TotalSurfaceArea	327.6
Relative PSA	0.21972
PolarSurfaceArea	104.92
Druglikeness	-5.1816
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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