N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0103 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C21 H25 N5 O5 |
| Smiles: | CCOc1ccc(CCNc2c(nn(c3ccccc3C)[n+]2[O-])[N+]([O-])=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.2899 |
| logD: | 3.2899 |
| logSw: | -3.5163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.367 |
| InChI Key: | LMVBIFRRVQRQGK-UHFFFAOYSA-N |