N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0181 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 420.22 |
| Molecular Formula: | C16 H14 Br N5 O4 |
| Smiles: | Cc1cc(ccc1[Br])Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1531 |
| logD: | 4.1531 |
| logSw: | -4.4061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.627 |
| InChI Key: | GBJCTCUWQDPXNW-UHFFFAOYSA-N |