N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1311 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 379.73 |
| Molecular Formula: | C15 H11 Cl F N5 O4 |
| Smiles: | COc1ccc(cc1)n1nc(c(Nc2ccc(c(c2)[Cl])F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7087 |
| logD: | 3.7086 |
| logSw: | -4.1058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.627 |
| InChI Key: | JYYDELPMJROVRZ-UHFFFAOYSA-N |