2-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C30H30N2OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C30H30N2OS
Smiles	O=C(c1c(/N=C\c2c(cccc3)c3cc3ccccc23)sc2c1CCCC2)NC1CCCCC1
InChI	InChI=1S/C30H30N2OS/c33-29(32-22-12-2-1-3-13-22)28-25-16-8-9-17-27(25)34-30(28)31-19-26-23-14-6-4-10-20(23)18-21-11-5-7-15-24(21)26/h4-7,10-11,14-15,18-19,22H,1-3,8-9,12-13,16-17H2,(H,32,33)
InChIK	CUKIMNCENAPBHV-UHFFFAOYSA-N
TotalMolweight	466.647
Molweight	466.647
MonoisotopicMass	466.207883
CLogP	7.6297
CLogS	-9.201
H Acceptors	3
H Donors	1
TotalSurfaceArea	361.47
Relative PSA	0.15595
PolarSurfaceArea	69.7
Druglikeness	0.33565
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	10
Symmetricatoms	8
Amides	1
StereoCon

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1 - 2-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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