3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)-1lambda~6~-thiolane-1,1-dione
3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y020-9170 |
| Compound Name: | 3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | C1CS(CC1n1c(cc(c2ccccc2)n1)O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9077 |
| logD: | -0.4934 |
| logSw: | -1.8877 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.803 |
| InChI Key: | VVPPDGYDMCUCPQ-LLVKDONJSA-N |