(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine

Formula:C22H17N4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine is not a drug-like molecule.

MolName	(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine
MolecularFormula	C22H17N4BrS
Smiles	Brc1ccc(/C=N\n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1
InChI	InChI=1S/C22H17BrN4S/c23-20-13-11-17(12-14-20)15-24-27-21(19-9-5-2-6-10-19)25-26-22(27)28-16-18-7-3-1-4-8-18/h1-15H,16H2
InChIK	GIZYYMLTQPNXDE-UHFFFAOYSA-N
TotalMolweight	449.375
Molweight	449.375
MonoisotopicMass	448.035727
CLogP	5.8
CLogS	-9.487
H Acceptors	4
TotalSurfaceArea	313.9
Relative PSA	0.18417
PolarSurfaceArea	68.37
Druglikeness	1.9768
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine | 2 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine

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