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

Formula:C22H24N2OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-cyclohexyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	N-cyclohexyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C22H24N2OCl2S
Smiles	O=C(c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2)NC1CCCCC1
InChI	InChI=1S/C22H24Cl2N2OS/c23-17-11-6-7-14(20(17)24)13-25-22-19(16-10-4-5-12-18(16)28-22)21(27)26-15-8-2-1-3-9-15/h6-7,11,13,15H,1-5,8-10,12H2,(H,26,27)
InChIK	XHJRXSMLTWHYRJ-UHFFFAOYSA-N
TotalMolweight	435.418
Molweight	435.418
MonoisotopicMass	434.098637
CLogP	6.4529
CLogS	-7.461
H Acceptors	3
H Donors	1
TotalSurfaceArea	323.11
Relative PSA	0.17446
PolarSurfaceArea	69.7
Druglikeness	0.38103
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon

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

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