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

Formula:C26H26N2O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-cyclohexyl-2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	N-cyclohexyl-2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C26H26N2O2Cl2S
Smiles	O=C(c1c(/N=C\c2ccc(-c(cc3)cc(Cl)c3Cl)o2)sc2c1CCCC2)NC1CCCCC1
InChI	InChI=1S/C26H26Cl2N2O2S/c27-20-12-10-16(14-21(20)28)22-13-11-18(32-22)15-29-26-24(19-8-4-5-9-23(19)33-26)25(31)30-17-6-2-1-3-7-17/h10-15,17H,1-9H2,(H,30,31)
InChIK	YIJXKWKTDAUGJU-UHFFFAOYSA-N
TotalMolweight	501.476
Molweight	501.476
MonoisotopicMass	500.109202
CLogP	7.3918
CLogS	-8.921
H Acceptors	4
H Donors	1
TotalSurfaceArea	372.56
Relative PSA	0.18918
PolarSurfaceArea	82.84
Druglikeness	1.7442
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon

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

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