3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | C263-0334 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c2ccccc2)c1OC(C12CC3CC(CC(C3)C2)C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1534 |
| logD: | 6.1534 |
| logSw: | -5.69 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.084 |
| InChI Key: | HFEMDUWAWGSKNM-UHFFFAOYSA-N |