5-benzyl-3-(2,4-dihydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
5-benzyl-3-(2,4-dihydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
5-benzyl-3-(2,4-dihydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8010-4944 |
| Compound Name: | 5-benzyl-3-(2,4-dihydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | CSCCC1(C2C(C(c3ccc(cc3O)O)N1)C(N(Cc1ccccc1)C2=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8534 |
| logD: | -0.4647 |
| logSw: | -2.5058 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 105.608 |
| InChI Key: | KKHQMUOUNGXXQT-UHFFFAOYSA-N |