3-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}propanoic acid
3-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | Y504-8738 |
| Compound Name: | 3-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}propanoic acid |
| Molecular Weight: | 248.73 |
| Molecular Formula: | C9 H13 Cl N2 O2 S |
| Smiles: | Cc1c(c(C)n(CSCCC(O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.1517 |
| logD: | -2.4131 |
| logSw: | -2.4049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.304 |
| InChI Key: | QNOWCFNWQYFYPB-UHFFFAOYSA-N |