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

Formula:C27H21N5OS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
MolecularFormula	C27H21N5OS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C27H21N5OS/c33-25(29-28-18-22-14-9-13-20-10-7-8-17-24(20)22)19-34-27-31-30-26(21-11-3-1-4-12-21)32(27)23-15-5-2-6-16-23/h1-18H,19H2,(H,29,33)
InChIK	FQTSCOUWVHZVMP-UHFFFAOYSA-N
TotalMolweight	463.564
Molweight	463.564
MonoisotopicMass	463.14668
CLogP	5.7262
CLogS	-10.022
H Acceptors	6
H Donors	1
TotalSurfaceArea	359.08
Relative PSA	0.22922
PolarSurfaceArea	97.47
Druglikeness	5.4255
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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