4-bromo-N-{2-[5-(3,4-difluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{2-[5-(3,4-difluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
4-bromo-N-{2-[5-(3,4-difluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | G717-5192 |
| Compound Name: | 4-bromo-N-{2-[5-(3,4-difluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide |
| Molecular Weight: | 407.22 |
| Molecular Formula: | C17 H13 Br F2 N4 O |
| Smiles: | C(CNC(c1ccc(cc1)[Br])=O)c1nc(c2ccc(c(c2)F)F)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8631 |
| logD: | 3.8507 |
| logSw: | -4.2062 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.269 |
| InChI Key: | RFDCQMRINUWCQG-UHFFFAOYSA-N |