5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8014-8766 |
| Compound Name: | 5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C25 H27 N3 O7 S |
| Smiles: | CC(Nc1ccc(cc1)N1C(C2C(C1=O)C(CCSC)(C(O)=O)NC2c1cccc(c1O)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0048 |
| logD: | -1.3133 |
| logSw: | -2.0397 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.203 |
| InChI Key: | VLWRXMRSGQKWDZ-UHFFFAOYSA-N |