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

Formula:C29H23N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
MolecularFormula	C29H23N5O2S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C29H23N5O2S/c35-27(31-30-20-22-11-10-18-26(19-22)36-25-16-8-3-9-17-25)21-37-29-33-32-28(23-12-4-1-5-13-23)34(29)24-14-6-2-7-15-24/h1-20H,21H2,(H,31,35)
InChIK	ADTNEUBHQYLKCA-UHFFFAOYSA-N
TotalMolweight	505.601
Molweight	505.601
MonoisotopicMass	505.157245
CLogP	5.9274
CLogS	-10.713
H Acceptors	7
H Donors	1
TotalSurfaceArea	394.24
Relative PSA	0.23415
PolarSurfaceArea	106.7
Druglikeness	5.3389
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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