3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-2-methylphenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-2-methylphenyl)adamantane-1-carboxamide
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-2-methylphenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y501-8482 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-2-methylphenyl)adamantane-1-carboxamide |
| Molecular Weight: | 449.78 |
| Molecular Formula: | C20 H22 Br Cl N4 O |
| Smiles: | Cc1c(cccc1[Cl])NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4376 |
| logD: | 5.4276 |
| logSw: | -5.8668 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.963 |
| InChI Key: | WYGMGTPJGPRSBF-UHFFFAOYSA-N |