N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula:C23H17N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C23H17N5OCl2S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C23H17Cl2N5OS/c24-19-12-7-13-20(25)18(19)14-26-27-21(31)15-32-23-29-28-22(16-8-3-1-4-9-16)30(23)17-10-5-2-6-11-17/h1-14H,15H2,(H,27,31)
InChIK	QGNANPNVMYOKMX-UHFFFAOYSA-N
TotalMolweight	482.394
Molweight	482.394
MonoisotopicMass	481.053084
CLogP	5.7438
CLogS	-9.888
H Acceptors	6
H Donors	1
TotalSurfaceArea	355.32
Relative PSA	0.23165
PolarSurfaceArea	97.47
Druglikeness	5.4489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	7
Aromatic Nitrogens	3
StereoCon

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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

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