2-{[1-(2-chloro-5-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[1-(2-chloro-5-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
2-{[1-(2-chloro-5-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | Y020-0583 |
| Compound Name: | 2-{[1-(2-chloro-5-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid |
| Molecular Weight: | 391.83 |
| Molecular Formula: | C18 H14 Cl N O5 S |
| Smiles: | COc1ccc(c(c1)N1C(CC(C1=O)Sc1ccccc1C(O)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0515 |
| logD: | 0.4401 |
| logSw: | -3.4045 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.809 |
| InChI Key: | FUVJKIOVUAADRE-OAHLLOKOSA-N |