N-(4-bromo-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(4-bromo-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-6952 |
| Compound Name: | N-(4-bromo-2-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(ccc1NC(C12CC3CC(C1)CC(C3)(C2)n1cncn1)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5963 |
| logD: | 4.588 |
| logSw: | -4.5304 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.152 |
| InChI Key: | XAZGLVGQTNMDLY-UHFFFAOYSA-N |