1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

Formula:C25H17N8O3Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-chloro-2-[(2,6-dichlorophenyl)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)-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
MolecularFormula	C25H17N8O3Cl3
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc(cc2)Cl)c2OCc(c(Cl)ccc2)c2Cl)=O)c1-c1ccccc1
InChI	InChI=1S/C25H17Cl3N8O3/c26-16-9-10-20(38-13-17-18(27)7-4-8-19(17)28)15(11-16)12-30-32-25(37)21-22(14-5-2-1-3-6-14)36(35-31-21)24-23(29)33-39-34-24/h1-12H,13H2,(H2,29,33)(H,32,37)
InChIK	PTXHFURAQRNUPS-UHFFFAOYSA-N
TotalMolweight	583.822
Molweight	583.822
MonoisotopicMass	582.048918
CLogP	6.6117
CLogS	-6.755
H Acceptors	11
H Donors	2
TotalSurfaceArea	418.74
Relative PSA	0.30124
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	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	5
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide

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