2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1137 |
| Compound Name: | 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 405.8 |
| Molecular Formula: | C17 H16 Cl N5 O5 |
| Smiles: | COc1ccc(c(CNc2c(nn(c3cccc(c3)[Cl])[n+]2[O-])[N+]([O-])=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3748 |
| logD: | 3.3748 |
| logSw: | -3.7147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.58 |
| InChI Key: | GSUGDCMACOAQFG-UHFFFAOYSA-N |