2-{[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
2-{[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | Y020-0582 |
| Compound Name: | 2-{[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid |
| Molecular Weight: | 341.38 |
| Molecular Formula: | C18 H15 N O4 S |
| Smiles: | Cc1cccc(c1)N1C(CC(C1=O)Sc1ccccc1C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7015 |
| logD: | 0.0902 |
| logSw: | -3.076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.566 |
| InChI Key: | ORKFBYIPMPEPIJ-HNNXBMFYSA-N |