N-(3-chloro-4-methoxyphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-chloro-4-methoxyphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0065 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 375.77 |
| Molecular Formula: | C16 H14 Cl N5 O4 |
| Smiles: | Cc1ccccc1n1nc(c(Nc2ccc(c(c2)[Cl])OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8658 |
| logD: | 3.8658 |
| logSw: | -4.2149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.413 |
| InChI Key: | HPZSJGGXUJORNE-UHFFFAOYSA-N |