2-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
2-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | 4676-0547 |
| Compound Name: | 2-{[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C19 H17 N O4 S |
| Smiles: | Cc1ccc(c(C)c1)N1C(CC(C1=O)Sc1ccccc1C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3384 |
| logD: | 0.727 |
| logSw: | -3.6483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.265 |
| InChI Key: | KSWGVLALPBTFPF-INIZCTEOSA-N |