N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0571 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 391.77 |
| Molecular Formula: | C16 H14 Cl N5 O5 |
| Smiles: | COc1ccc(cc1)n1nc(c(Nc2cc(ccc2OC)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5483 |
| logD: | 3.5482 |
| logSw: | -3.8944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.56 |
| InChI Key: | PHMNFHXPNIWJDX-UHFFFAOYSA-N |