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

Formula:C22H17N4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(2-chlorophenyl)methanimine is not a drug-like molecule.

MolName	(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(2-chlorophenyl)methanimine
MolecularFormula	C22H17N4ClS
Smiles	Clc1c(/C=N\n2c(SCc3ccccc3)nnc2-c2ccccc2)cccc1
InChI	InChI=1S/C22H17ClN4S/c23-20-14-8-7-13-19(20)15-24-27-21(18-11-5-2-6-12-18)25-26-22(27)28-16-17-9-3-1-4-10-17/h1-15H,16H2
InChIK	JSAPKBLJEFJEJV-UHFFFAOYSA-N
TotalMolweight	404.924
Molweight	404.924
MonoisotopicMass	404.086243
CLogP	5.6808
CLogS	-9.389
H Acceptors	4
TotalSurfaceArea	310.69
Relative PSA	0.18607
PolarSurfaceArea	68.37
Druglikeness	3.7744
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
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	4
Aromatic Nitrogens	3
StereoCon

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

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