5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8012-8842 |
| Compound Name: | 5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 566.41 |
| Molecular Formula: | C23 H23 I N2 O5 S |
| Smiles: | CSCCC1(C2C(C(c3cc(ccc3O)I)N1)C(N(Cc1ccccc1)C2=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8272 |
| logD: | 1.5091 |
| logSw: | -3.7077 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.991 |
| InChI Key: | KRDVQZUTUDAXMY-UHFFFAOYSA-N |