5-bromo-N-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide
5-bromo-N-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y044-3010 |
| Compound Name: | 5-bromo-N-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 391.17 |
| Molecular Formula: | C12 H6 Br F3 N4 O S |
| Smiles: | c1cc2c(cc1[Br])cc(C(Nc1nnc(C(F)(F)F)[nH]1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2038 |
| logD: | 0.2389 |
| logSw: | -3.5819 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.267 |
| InChI Key: | FVFIMDXFUMTTOZ-UHFFFAOYSA-N |