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

Formula:C21H16N5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine is a drug-like molecule.

MolName	(Z)-N-(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine
MolecularFormula	C21H16N5BrS
Smiles	Brc1ccc(/C=N\n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1
InChI	InChI=1S/C21H16BrN5S/c22-19-8-6-16(7-9-19)14-24-27-20(18-10-12-23-13-11-18)25-26-21(27)28-15-17-4-2-1-3-5-17/h1-14H,15H2
InChIK	HRPSPKKVLNQKGD-UHFFFAOYSA-N
TotalMolweight	450.363
Molweight	450.363
MonoisotopicMass	449.030976
CLogP	4.7991
CLogS	-8.692
H Acceptors	5
TotalSurfaceArea	312.66
Relative PSA	0.21998
PolarSurfaceArea	81.26
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	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	4
StereoCon

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

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