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

Formula:C26H20N8O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
MolecularFormulaC26H20N8O4Cl2
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc(ccc(Cl)c2)c2Cl)=O)c1COc1ccccc1
InChIInChI=1S/C26H20Cl2N8O4/c27-18-9-8-17(21(28)12-18)14-38-20-10-6-16(7-11-20)13-30-32-26(37)23-22(15-39-19-4-2-1-3-5-19)36(35-31-23)25-24(29)33-40-34-25/h1-13H,14-15H2,(H2,29,33)(H,32,37)
InChIKHDKIIQWGVSEXOI-UHFFFAOYSA-N
TotalMolweight579.403
Molweight579.403
MonoisotopicMass578.098456
CLogP5.6576
CLogS-5.606
H Acceptors12
H Donors2
TotalSurfaceArea427.08
Relative PSA0.31877
PolarSurfaceArea155.57
Druglikeness1.7579
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.575
Fragments1
Non HAtoms40
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms4
Symmetricatoms4
Aromatic Nitrogens5
StereoCon

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