N-(4-bromo-2-fluorophenyl)-3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(4-bromo-2-fluorophenyl)-3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-9219 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 498.19 |
| Molecular Formula: | C19 H19 Br2 F N4 O |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Br])C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3108 |
| logD: | 5.0435 |
| logSw: | -5.7267 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.963 |
| InChI Key: | YNFHNVNWXQRKDB-UHFFFAOYSA-N |