1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

Formula:C25H19N8O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C25H19N8O3Cl
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc(OCc(cccc3)c3Cl)c2)=O)c1-c1ccccc1
InChI	InChI=1S/C25H19ClN8O3/c26-20-12-5-4-10-18(20)15-36-19-11-6-7-16(13-19)14-28-30-25(35)21-22(17-8-2-1-3-9-17)34(33-29-21)24-23(27)31-37-32-24/h1-14H,15H2,(H2,27,31)(H,30,35)
InChIK	XKCLZJSETIMYKT-UHFFFAOYSA-N
TotalMolweight	514.932
Molweight	514.932
MonoisotopicMass	514.126864
CLogP	5.3997
CLogS	-5.283
H Acceptors	11
H Donors	2
TotalSurfaceArea	387.9
Relative PSA	0.32519
PolarSurfaceArea	146.34
Druglikeness	1.7579
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

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