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

Formula:C23H23N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
MolecularFormula	C23H23N5OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c(cccc1)c1Cl
InChI	InChI=1S/C23H23Cl2N5OS/c24-18-12-10-16(11-13-18)22-28-29-23(30(22)19-7-2-1-3-8-19)32-15-21(31)27-26-14-17-6-4-5-9-20(17)25/h4-6,9-14,19H,1-3,7-8,15H2,(H,27,31)
InChIK	MDXSQEDMATYRCP-UHFFFAOYSA-N
TotalMolweight	488.442
Molweight	488.442
MonoisotopicMass	487.100034
CLogP	6.258
CLogS	-7.078
H Acceptors	6
H Donors	1
TotalSurfaceArea	363.36
Relative PSA	0.22652
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	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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