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

Formula:C21H22N5OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormula	C21H22N5OClS2
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c1cccs1
InChI	InChI=1S/C21H22ClN5OS2/c22-16-10-8-15(9-11-16)20-25-26-21(27(20)17-5-2-1-3-6-17)30-14-19(28)24-23-13-18-7-4-12-29-18/h4,7-13,17H,1-3,5-6,14H2,(H,24,28)
InChIK	MZALTHAYERYZHA-UHFFFAOYSA-N
TotalMolweight	460.025
Molweight	460.025
MonoisotopicMass	459.095427
CLogP	5.5186
CLogS	-6.352
H Acceptors	6
H Donors	1
TotalSurfaceArea	343.88
Relative PSA	0.29856
PolarSurfaceArea	125.71
Druglikeness	1.6703
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
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)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

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