N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1553 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 407.35 |
| Molecular Formula: | C18 H16 F3 N5 O3 |
| Smiles: | Cc1ccc(CCNc2c(nn(c3cccc(c3)C(F)(F)F)[n+]2[O-])[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1717 |
| logD: | 4.1717 |
| logSw: | -4.2863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.247 |
| InChI Key: | ZZFBUJKXCDZLNT-UHFFFAOYSA-N |