2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0297 |
| Compound Name: | 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C17 H17 N5 O4 |
| Smiles: | Cc1ccc(CNc2c(nn(c3ccc(cc3)OC)[n+]2[O-])[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9717 |
| logD: | 2.9717 |
| logSw: | -3.3359 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.949 |
| InChI Key: | QQXMCQUIGAEGFT-UHFFFAOYSA-N |