2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0387 |
| Compound Name: | 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 419.82 |
| Molecular Formula: | C18 H18 Cl N5 O5 |
| Smiles: | COc1ccc(CCNc2c(nn(c3ccc(cc3)[Cl])[n+]2[O-])[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0343 |
| logD: | 3.0343 |
| logSw: | -3.6314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.508 |
| InChI Key: | NCUMPILSNYJYEO-UHFFFAOYSA-N |