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

Formula:C29H23N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
MolecularFormula	C29H23N5OS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C29H23N5OS/c35-27(31-30-20-22-16-18-24(19-17-22)23-10-4-1-5-11-23)21-36-29-33-32-28(25-12-6-2-7-13-25)34(29)26-14-8-3-9-15-26/h1-20H,21H2,(H,31,35)
InChIK	UUWXTVTYUHLQLO-UHFFFAOYSA-N
TotalMolweight	489.602
Molweight	489.602
MonoisotopicMass	489.16233
CLogP	6.191
CLogS	-10.502
H Acceptors	6
H Donors	1
TotalSurfaceArea	384.24
Relative PSA	0.21422
PolarSurfaceArea	97.47
Druglikeness	5.4255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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

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