(Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(furan-2-yl)methanimine

Formula:C15H10N6OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(furan-2-yl)methanimine is a drug-like molecule.

MolName	(Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(furan-2-yl)methanimine
MolecularFormula	C15H10N6OCl2S
Smiles	Clc1cc(Cl)c(CSc2nnc3n2ncn3/N=C\c2ccco2)cc1
InChI	InChI=1S/C15H10Cl2N6OS/c16-11-4-3-10(13(17)6-11)8-25-15-21-20-14-22(9-19-23(14)15)18-7-12-2-1-5-24-12/h1-7,9H,8H2
InChIK	CMOTYXRECVMNAU-UHFFFAOYSA-N
TotalMolweight	393.257
Molweight	393.257
MonoisotopicMass	392.001383
CLogP	2.9954
CLogS	-6.382
H Acceptors	7
TotalSurfaceArea	280.05
Relative PSA	0.32437
PolarSurfaceArea	98.81
Druglikeness	4.2141
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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1 - (Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(furan-2-yl)methanimine | 2 - (Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(furan-2-yl)methanimine

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