(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Formula:C27H22N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C27H22N4O3S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cccc1)c1OCC(Nc1ccccc1)=O
InChI	InChI=1S/C27H22N4O3S/c28-15-19(26(33)31-27-22(16-29)21-11-5-7-13-24(21)35-27)14-18-8-4-6-12-23(18)34-17-25(32)30-20-9-2-1-3-10-20/h1-4,6,8-10,12,14H,5,7,11,13,17H2,(H,30,32)(H,31,33)
InChIK	AQMMNGMVQLONMR-UHFFFAOYSA-N
TotalMolweight	482.563
Molweight	482.563
MonoisotopicMass	482.141261
CLogP	4.7593
CLogS	-7.087
H Acceptors	7
H Donors	2
TotalSurfaceArea	380.57
Relative PSA	0.27979
PolarSurfaceArea	143.25
Druglikeness	-5.1926
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - (E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide | 2 - (E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

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