2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide

Formula:C25H25N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H25N5OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C25H25Cl2N5OS/c26-20-13-11-19(12-14-20)24-30-31-25(32(24)22-9-5-2-6-10-22)34-17-23(33)29-28-16-21(27)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,22H,2,5-6,9-10,17H2,(H,29,33)
InChIK	MQZZLUDEONTVEL-UHFFFAOYSA-N
TotalMolweight	514.48
Molweight	514.48
MonoisotopicMass	513.115684
CLogP	6.1319
CLogS	-7.325
H Acceptors	6
H Donors	1
TotalSurfaceArea	388.07
Relative PSA	0.2121
PolarSurfaceArea	97.47
Druglikeness	0.67517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
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 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide

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