3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)adamantane-1-carboxamide
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y501-8483 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)adamantane-1-carboxamide |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C19 H19 Br F2 N4 O |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Br])C(Nc1cc(ccc1F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7975 |
| logD: | 4.4907 |
| logSw: | -4.9345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.963 |
| InChI Key: | NDOKLMYXQLTYLT-UHFFFAOYSA-N |