N-[(Z)-benzylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C23H24N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H24N5OClS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c1ccccc1
InChI	InChI=1S/C23H24ClN5OS/c24-19-13-11-18(12-14-19)22-27-28-23(29(22)20-9-5-2-6-10-20)31-16-21(30)26-25-15-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,20H,2,5-6,9-10,16H2,(H,26,30)
InChIK	CJWCSDFHXDXNTL-UHFFFAOYSA-N
TotalMolweight	453.997
Molweight	453.997
MonoisotopicMass	453.139007
CLogP	5.652
CLogS	-6.342
H Acceptors	6
H Donors	1
TotalSurfaceArea	347.94
Relative PSA	0.23656
PolarSurfaceArea	97.47
Druglikeness	0.364
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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1 - N-[(Z)-benzylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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