3-{4-[(3-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{4-[(3-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{4-[(3-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y020-9164 |
| Compound Name: | 3-{4-[(3-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 340.83 |
| Molecular Formula: | C15 H17 Cl N2 O3 S |
| Smiles: | Cc1c(Cc2cccc(c2)[Cl])c(n(C2CCS(C2)(=O)=O)n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6513 |
| logD: | 1.4741 |
| logSw: | -2.2671 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.087 |
| InChI Key: | OYPFKYKYOPJWCH-ZDUSSCGKSA-N |