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

Formula:C26H20N3O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromo-4-phenylmethoxyphenyl)-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-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C26H20N3O2BrS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cc1)cc(Br)c1OCc1ccccc1
InChI	InChI=1S/C26H20BrN3O2S/c27-22-13-18(10-11-23(22)32-16-17-6-2-1-3-7-17)12-19(14-28)25(31)30-26-21(15-29)20-8-4-5-9-24(20)33-26/h1-3,6-7,10-13H,4-5,8-9,16H2,(H,30,31)
InChIK	FJZNVHYFDWETGJ-UHFFFAOYSA-N
TotalMolweight	518.434
Molweight	518.434
MonoisotopicMass	517.045958
CLogP	6.1102
CLogS	-7.97
H Acceptors	5
H Donors	1
TotalSurfaceArea	369.99
Relative PSA	0.22157
PolarSurfaceArea	114.15
Druglikeness	-7.161
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

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

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