4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Chemical Structure Depiction of
4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Compound characteristics
| Compound ID: | 3285-2567 |
| Compound Name: | 4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid |
| Molecular Weight: | 417.09 |
| Molecular Formula: | C13 H9 Cl4 N O4 S |
| Smiles: | CSCCC(C(O)=O)N1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6964 |
| logD: | -1.462 |
| logSw: | -3.7752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.096 |
| InChI Key: | DWBLWBFMFMFTDT-BYPYZUCNSA-N |