4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
Chemical Structure Depiction of
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | C263-0267 |
| Compound Name: | 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C12CC3CC(CC(C3)C2)C1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.545 |
| logD: | 5.545 |
| logSw: | -5.5969 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.084 |
| InChI Key: | YMNUIMGJEPYMET-UHFFFAOYSA-N |