1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Formula:C18H13N8O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide |
| MolecularFormula | C18H13N8O2Cl |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cccc(Cl)c2)=O)c1-c1ccccc1 |
| InChI | InChI=1S/C18H13ClN8O2/c19-13-8-4-5-11(9-13)10-21-23-18(28)14-15(12-6-2-1-3-7-12)27(26-22-14)17-16(20)24-29-25-17/h1-10H,(H2,20,24)(H,23,28) |
| InChIK | IAJNQNRJPHHGOP-UHFFFAOYSA-N |
| TotalMolweight | 408.808 |
| Molweight | 408.808 |
| MonoisotopicMass | 408.084999 |
| CLogP | 4.0516 |
| CLogS | -3.942 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 304.38 |
| Relative PSA | 0.38156 |
| PolarSurfaceArea | 137.11 |
| Druglikeness | 2.0226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
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