3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]adamantane-1-carboxamide
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y502-4766 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]adamantane-1-carboxamide |
| Molecular Weight: | 473.41 |
| Molecular Formula: | C23 H29 Br N4 O2 |
| Smiles: | CC(C)c1cc(c(C)cc1O)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8754 |
| logD: | 4.8753 |
| logSw: | -4.3483 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.511 |
| InChI Key: | NFBXOXWUYBCCEM-UHFFFAOYSA-N |