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

Formula:C27H19N4O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-bromo-4-[(4-cyanophenyl)methoxy]phenyl]-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-[(4-cyanophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C27H19N4O2BrS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cc1)cc(Br)c1OCc(cc1)ccc1C#N
InChI	InChI=1S/C27H19BrN4O2S/c28-23-12-19(9-10-24(23)34-16-18-7-5-17(13-29)6-8-18)11-20(14-30)26(33)32-27-22(15-31)21-3-1-2-4-25(21)35-27/h5-12H,1-4,16H2,(H,32,33)
InChIK	UGDODMQAKYYZFL-UHFFFAOYSA-N
TotalMolweight	543.444
Molweight	543.444
MonoisotopicMass	542.041207
CLogP	5.9458
CLogS	-8.743
H Acceptors	6
H Donors	1
TotalSurfaceArea	391.7
Relative PSA	0.24391
PolarSurfaceArea	137.94
Druglikeness	-7.161
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
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-[(4-cyanophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide | 2 - (E)-3-[3-bromo-4-[(4-cyanophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

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