3-(5-bromo-2-hydroxyphenyl)-5-(3-chlorophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
3-(5-bromo-2-hydroxyphenyl)-5-(3-chlorophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
3-(5-bromo-2-hydroxyphenyl)-5-(3-chlorophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8013-0806 |
| Compound Name: | 3-(5-bromo-2-hydroxyphenyl)-5-(3-chlorophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 539.83 |
| Molecular Formula: | C22 H20 Br Cl N2 O5 S |
| Smiles: | CSCCC1(C2C(C(c3cc(ccc3O)[Br])N1)C(N(C2=O)c1cccc(c1)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2375 |
| logD: | 0.9194 |
| logSw: | -3.4667 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.38 |
| InChI Key: | AYKAMQICLVRIND-UHFFFAOYSA-N |