N-(2-chloro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-chloro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1686 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 413.74 |
| Molecular Formula: | C16 H11 Cl F3 N5 O3 |
| Smiles: | Cc1ccc(c(c1)[Cl])Nc1c(nn(c2cccc(c2)C(F)(F)F)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8627 |
| logD: | 4.8627 |
| logSw: | -5.0819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | OVZUDNPFUURFIG-UHFFFAOYSA-N |