N-[2-(4-chlorophenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
N-[2-(4-chlorophenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1557 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-5-nitro-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 427.77 |
| Molecular Formula: | C17 H13 Cl F3 N5 O3 |
| Smiles: | C(CNc1c(nn(c2cccc(c2)C(F)(F)F)[n+]1[O-])[N+]([O-])=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3431 |
| logD: | 4.3431 |
| logSw: | -4.7406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.247 |
| InChI Key: | JUSOCNZQBBBWRR-UHFFFAOYSA-N |