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

Formula:C27H20N5OBrS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
MolecularFormula	C27H20N5OBrS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C27H20BrN5OS/c28-22-15-13-20(14-16-22)26-31-32-27(33(26)23-10-2-1-3-11-23)35-18-25(34)30-29-17-21-9-6-8-19-7-4-5-12-24(19)21/h1-17H,18H2,(H,30,34)
InChIK	CTZPIEYHJCXJGV-UHFFFAOYSA-N
TotalMolweight	542.46
Molweight	542.46
MonoisotopicMass	541.057191
CLogP	6.4514
CLogS	-10.856
H Acceptors	6
H Donors	1
TotalSurfaceArea	377.71
Relative PSA	0.21792
PolarSurfaceArea	97.47
Druglikeness	3.6355
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
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-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

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