(Z)-N-(3-benzylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)-1-(2,4-dichlorophenyl)methanimine

Formula:C21H15N5Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(3-benzylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)-1-(2,4-dichlorophenyl)methanimine is not a drug-like molecule.

MolName	(Z)-N-(3-benzylsulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)-1-(2,4-dichlorophenyl)methanimine
MolecularFormula	C21H15N5Cl2S
Smiles	Clc1cc(Cl)c(/C=N\n2c(SCc3ccccc3)nnc2-c2cnccc2)cc1
InChI	InChI=1S/C21H15Cl2N5S/c22-18-9-8-16(19(23)11-18)13-25-28-20(17-7-4-10-24-12-17)26-27-21(28)29-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIK	BZOMXYIEJCRHKY-UHFFFAOYSA-N
TotalMolweight	440.357
Molweight	440.357
MonoisotopicMass	439.042519
CLogP	5.2859
CLogS	-9.33
H Acceptors	5
TotalSurfaceArea	324.87
Relative PSA	0.21172
PolarSurfaceArea	81.26
Druglikeness	3.7744
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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

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