1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]triazole-4-carboxamide
Formula:C18H11N8O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]triazole-4-carboxamide |
| MolecularFormula | C18H11N8O2Cl3 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cccc(Cl)c2Cl)=O)c1-c(cccc1)c1Cl |
| InChI | InChI=1S/C18H11Cl3N8O2/c19-11-6-2-1-5-10(11)15-14(24-28-29(15)17-16(22)26-31-27-17)18(30)25-23-8-9-4-3-7-12(20)13(9)21/h1-8H,(H2,22,26)(H,25,30) |
| InChIK | JLEFSLPKQYBMSI-UHFFFAOYSA-N |
| TotalMolweight | 477.698 |
| Molweight | 477.698 |
| MonoisotopicMass | 476.007053 |
| CLogP | 5.2636 |
| CLogS | -5.414 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 335.22 |
| Relative PSA | 0.34646 |
| 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 | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]triazole-4-carboxamide
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