3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)adamantane-1-carboxamide
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y501-8487 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)adamantane-1-carboxamide |
| Molecular Weight: | 521.41 |
| Molecular Formula: | C26 H25 Br N4 O3 |
| Smiles: | COc1cc2c3ccccc3oc2cc1NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3175 |
| logD: | 6.3161 |
| logSw: | -5.9101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.508 |
| InChI Key: | JQJZCQHTMURWMD-UHFFFAOYSA-N |