N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0369 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C19 H21 N5 O6 |
| Smiles: | COc1ccc(cc1)n1nc(c(NCCc2ccc(c(c2)OC)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4219 |
| logD: | 2.4219 |
| logSw: | -2.6848 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.052 |
| InChI Key: | IVRMAQTUVGOMAA-UHFFFAOYSA-N |