N-benzyl-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C27H23N2O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-benzyl-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	N-benzyl-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C27H23N2O2BrS
Smiles	O=C(c1c(/N=C\c2ccc(-c(cc3)ccc3Br)o2)sc2c1CCCC2)NCc1ccccc1
InChI	InChI=1S/C27H23BrN2O2S/c28-20-12-10-19(11-13-20)23-15-14-21(32-23)17-30-27-25(22-8-4-5-9-24(22)33-27)26(31)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-15,17H,4-5,8-9,16H2,(H,29,31)
InChIK	VKNHJAFJDMYOCB-UHFFFAOYSA-N
TotalMolweight	519.462
Molweight	519.462
MonoisotopicMass	518.066359
CLogP	6.7674
CLogS	-8.032
H Acceptors	4
H Donors	1
TotalSurfaceArea	366.07
Relative PSA	0.19253
PolarSurfaceArea	82.84
Druglikeness	-0.56353
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	4
Amides	1
StereoCon

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1 - N-benzyl-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-benzyl-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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