2-({1-[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({1-[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid
2-({1-[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | 5697-0304 |
| Compound Name: | 2-({1-[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C20 H19 N O6 S2 |
| Smiles: | CCc1cc(C(=O)OCC)c(N2C(CC(C2=O)Sc2ccccc2C(O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5305 |
| logD: | 0.9191 |
| logSw: | -3.633 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.388 |
| InChI Key: | CRRJBMRWQSJCDD-OAHLLOKOSA-N |