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

Formula:C30H25N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormula	C30H25N5O2S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C30H25N5O2S/c36-28(32-31-20-23-16-18-27(19-17-23)37-21-24-10-4-1-5-11-24)22-38-30-34-33-29(25-12-6-2-7-13-25)35(30)26-14-8-3-9-15-26/h1-20H,21-22H2,(H,32,36)
InChIK	ZWNDZWDBVDEYOE-UHFFFAOYSA-N
TotalMolweight	519.628
Molweight	519.628
MonoisotopicMass	519.172895
CLogP	5.8799
CLogS	-9.757
H Acceptors	7
H Donors	1
TotalSurfaceArea	408
Relative PSA	0.22625
PolarSurfaceArea	106.7
Druglikeness	5.1147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60526
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	4
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-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

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