3-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)propanoic acid
Chemical Structure Depiction of
3-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)propanoic acid
3-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | 8012-7286 |
| Compound Name: | 3-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)propanoic acid |
| Molecular Weight: | 290.28 |
| Molecular Formula: | C12 H12 F2 O4 S |
| Smiles: | [H]C(Oc1ccc(cc1)C(CSCCC(O)=O)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.5681 |
| logD: | -1.9967 |
| logSw: | -1.8285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.474 |
| InChI Key: | QAFUSUGBNWUMPV-UHFFFAOYSA-N |