2-bromo-N-{2-[5-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
Chemical Structure Depiction of
2-bromo-N-{2-[5-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
2-bromo-N-{2-[5-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | G717-5381 |
| Compound Name: | 2-bromo-N-{2-[5-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide |
| Molecular Weight: | 419.25 |
| Molecular Formula: | C18 H16 Br F N4 O2 |
| Smiles: | COc1ccc(cc1F)c1nc(CCNC(c2ccccc2[Br])=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.3705 |
| logD: | 3.3581 |
| logSw: | -3.8202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.899 |
| InChI Key: | KQHWBDCKOJAGPA-UHFFFAOYSA-N |