2-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0920 |
| Compound Name: | 2-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 434.16 |
| Molecular Formula: | C15 H8 Cl2 F3 N5 O3 |
| Smiles: | c1cc(c(cc1Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O)C(F)(F)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1981 |
| logD: | 5.1979 |
| logSw: | -5.8699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | AACDKUUUGVQNOA-UHFFFAOYSA-N |