1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]triazole-4-carboxamide

Formula:C19H12N8O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]triazole-4-carboxamide
MolecularFormula	C19H12N8O4Cl2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)c1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H12Cl2N8O4/c20-11-3-1-10(12(21)6-11)7-23-25-19(30)15-16(9-2-4-13-14(5-9)32-8-31-13)29(28-24-15)18-17(22)26-33-27-18/h1-7H,8H2,(H2,22,26)(H,25,30)
InChIK	IWTUHFNEAJBMMQ-UHFFFAOYSA-N
TotalMolweight	487.262
Molweight	487.262
MonoisotopicMass	486.035856
CLogP	4.769
CLogS	-5.389
H Acceptors	12
H Donors	2
TotalSurfaceArea	340.06
Relative PSA	0.40034
PolarSurfaceArea	155.57
Druglikeness	1.9105
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]triazole-4-carboxamide

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