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

Formula:C23H18N5OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H18N5OBrS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Br)N/N=C\c1ccccc1
InChI	InChI=1S/C23H18BrN5OS/c24-19-11-13-20(14-12-19)29-22(18-9-5-2-6-10-18)27-28-23(29)31-16-21(30)26-25-15-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,30)
InChIK	LTQYHXKACBOTNI-UHFFFAOYSA-N
TotalMolweight	492.4
Molweight	492.4
MonoisotopicMass	491.041541
CLogP	5.257
CLogS	-9.25
H Acceptors	6
H Donors	1
TotalSurfaceArea	343.11
Relative PSA	0.23989
PolarSurfaceArea	97.47
Druglikeness	3.6355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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