3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxo-5-(propan-2-yl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxo-5-(propan-2-yl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxo-5-(propan-2-yl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8014-1723 |
| Compound Name: | 3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxo-5-(propan-2-yl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C20 H26 N2 O6 S |
| Smiles: | CC(C)N1C(C2C(C1=O)C(CCSC)(C(O)=O)NC2c1cccc(c1O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3398 |
| logD: | -0.9783 |
| logSw: | -2.1472 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.545 |
| InChI Key: | XIJJZKASKOJNGG-UHFFFAOYSA-N |