3-(2-hydroxy-3-methoxyphenyl)-5-methyl-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
3-(2-hydroxy-3-methoxyphenyl)-5-methyl-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
3-(2-hydroxy-3-methoxyphenyl)-5-methyl-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8016-1233 |
| Compound Name: | 3-(2-hydroxy-3-methoxyphenyl)-5-methyl-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 394.44 |
| Molecular Formula: | C18 H22 N2 O6 S |
| Smiles: | CN1C(C2C(C1=O)C(CCSC)(C(O)=O)NC2c1cccc(c1O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4394 |
| logD: | -1.8787 |
| logSw: | -2.0001 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.59 |
| InChI Key: | BNTSSBNBEGQPHK-UHFFFAOYSA-N |