1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl adamantane-1-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl adamantane-1-carboxylate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | C263-0112 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl adamantane-1-carboxylate |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C26 H34 N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(C12CC3CC(CC(C3)C2)C1)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7225 |
| logD: | 5.7225 |
| logSw: | -5.4966 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.051 |
| InChI Key: | BFHIHIKOGGBFHN-UHFFFAOYSA-N |