N-(4-bromo-3-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(4-bromo-3-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-7535 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 415.33 |
| Molecular Formula: | C20 H23 Br N4 O |
| Smiles: | Cc1cc(ccc1[Br])NC(C12CC3CC(C1)CC(C3)(C2)n1cncn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7544 |
| logD: | 4.7513 |
| logSw: | -4.6879 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.85 |
| InChI Key: | HVFMPXPLRUXODU-UHFFFAOYSA-N |