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

Formula:C32H26N6OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[5-[(naphthalen-1-ylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-[(naphthalen-1-ylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
MolecularFormula	C32H26N6OS
Smiles	O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C\c1cc2ccccc2cc1
InChI	InChI=1S/C32H26N6OS/c39-31(36-34-20-23-17-18-24-9-4-5-11-26(24)19-23)22-40-32-37-35-30(38(32)27-13-2-1-3-14-27)21-33-29-16-8-12-25-10-6-7-15-28(25)29/h1-20,33H,21-22H2,(H,36,39)
InChIK	MWWSDELDWXJZMJ-UHFFFAOYSA-N
TotalMolweight	542.665
Molweight	542.665
MonoisotopicMass	542.188879
CLogP	6.2322
CLogS	-10.15
H Acceptors	7
H Donors	2
TotalSurfaceArea	418.9
Relative PSA	0.22385
PolarSurfaceArea	109.5
Druglikeness	5.8676
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	3
Symmetricatoms	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon

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

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