5-benzyl-3-(3-ethoxy-2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
5-benzyl-3-(3-ethoxy-2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
5-benzyl-3-(3-ethoxy-2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8012-1537 |
| Compound Name: | 5-benzyl-3-(3-ethoxy-2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H28 N2 O6 S |
| Smiles: | CCOc1cccc(C2C3C(C(N(Cc4ccccc4)C3=O)=O)C(CCSC)(C(O)=O)N2)c1O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7878 |
| logD: | 0.4698 |
| logSw: | -3.3326 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.132 |
| InChI Key: | ZDMUFUSVYQUKEI-UHFFFAOYSA-N |