2-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid
2-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | 5697-0295 |
| Compound Name: | 2-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C21 H21 N O6 S |
| Smiles: | COc1ccc(CCN2C(CC(C2=O)Sc2ccccc2C(O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2992 |
| logD: | -0.3122 |
| logSw: | -2.628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.416 |
| InChI Key: | OZZAPKBGNBWNSO-SFHVURJKSA-N |