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

Formula:C23H24N4O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(azepan-1-yl)furan-2-yl]-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-[5-(azepan-1-yl)furan-2-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C23H24N4O2S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1ccc(N2CCCCCC2)o1
InChI	InChI=1S/C23H24N4O2S/c24-14-16(13-17-9-10-21(29-17)27-11-5-1-2-6-12-27)22(28)26-23-19(15-25)18-7-3-4-8-20(18)30-23/h9-10,13H,1-8,11-12H2,(H,26,28)
InChIK	BRCCJLWEZLNFHS-UHFFFAOYSA-N
TotalMolweight	420.536
Molweight	420.536
MonoisotopicMass	420.161996
CLogP	4.752
CLogS	-7.264
H Acceptors	6
H Donors	1
TotalSurfaceArea	336.89
Relative PSA	0.26608
PolarSurfaceArea	121.3
Druglikeness	-1.7356
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	10
Symmetricatoms	3
Amides	1
StereoCon

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

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