N-[4-(trifluoromethyl)phenyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
Chemical Structure Depiction of
N-[4-(trifluoromethyl)phenyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
N-[4-(trifluoromethyl)phenyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
Compound characteristics
| Compound ID: | 8018-2391 |
| Compound Name: | N-[4-(trifluoromethyl)phenyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide |
| Molecular Weight: | 323.23 |
| Molecular Formula: | C12 H8 F3 N7 O |
| Smiles: | c1cc(ccc1C(F)(F)F)NC(c1nc([nH]n1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4417 |
| logD: | 1.397 |
| logSw: | -1.9939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.345 |
| InChI Key: | AFSSXWCKKPCERI-UHFFFAOYSA-N |