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

Formula:C22H23N6OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
MolecularFormula	C22H23N6OClS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c1ccncc1
InChI	InChI=1S/C22H23ClN6OS/c23-18-8-6-17(7-9-18)21-27-28-22(29(21)19-4-2-1-3-5-19)31-15-20(30)26-25-14-16-10-12-24-13-11-16/h6-14,19H,1-5,15H2,(H,26,30)
InChIK	TYSAOENTSYUGCE-UHFFFAOYSA-N
TotalMolweight	454.985
Molweight	454.985
MonoisotopicMass	454.134256
CLogP	4.6511
CLogS	-5.547
H Acceptors	7
H Donors	1
TotalSurfaceArea	346.7
Relative PSA	0.26905
PolarSurfaceArea	110.36
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	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Aromatic Nitrogens	4
StereoCon

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

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