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

Formula:C29H25N5O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(naphthalen-1-ylmethylideneamino)acetamide is not a drug-like molecule.

MolName	2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(naphthalen-1-ylmethylideneamino)acetamide
MolecularFormula	C29H25N5O2S
Smiles	Cc(cc1)ccc1-c(n1-c(cc2)ccc2OC)nnc1SCC(NN=Cc1cccc2ccccc12)=O
InChI	InChI=1S/C29H25N5O2S/c1-20-10-12-22(13-11-20)28-32-33-29(34(28)24-14-16-25(36-2)17-15-24)37-19-27(35)31-30-18-23-8-5-7-21-6-3-4-9-26(21)23/h3-18H,19H2,1-2H3,(H,31,35)
InChIK	AWFCRCFQISETAO-UHFFFAOYSA-N
TotalMolweight	507.617
Molweight	507.617
MonoisotopicMass	507.172895
CLogP	6.0001
CLogS	-10.384
H Acceptors	7
H Donors	1
TotalSurfaceArea	393.6
Relative PSA	0.23453
PolarSurfaceArea	106.7
Druglikeness	5.317
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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