3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1806 |
| Compound Name: | 3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C24 H26 N2 O7 S |
| Smiles: | COc1ccc(cc1)N1C(C2C(C1=O)C(CCSC)(C(O)=O)NC2c1ccc(cc1O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8901 |
| logD: | -0.428 |
| logSw: | -2.5431 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.467 |
| InChI Key: | XFHSYDWHPZOBMB-UHFFFAOYSA-N |