N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1358 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 424.18 |
| Molecular Formula: | C15 H11 Br F N5 O4 |
| Smiles: | COc1ccc(cc1)n1nc(c(Nc2ccc(cc2F)[Br])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9759 |
| logD: | 3.9759 |
| logSw: | -4.1998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.929 |
| InChI Key: | AHAAQSREHYOEHI-UHFFFAOYSA-N |