N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0586 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 389.75 |
| Molecular Formula: | C16 H12 Cl N5 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0737 |
| logD: | 3.0737 |
| logSw: | -3.5698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.521 |
| InChI Key: | LGKRJEJOHJNWDG-UHFFFAOYSA-N |