2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | Y070-3443 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C28 H25 N O5 S |
| Smiles: | COc1ccc(CCN2C(C3=C(C2=O)Oc2ccccc2C3=O)c2ccc(cc2)SC)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9769 |
| logD: | 4.9769 |
| logSw: | -4.6902 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.972 |
| InChI Key: | BQEZRHJGPKGCED-RUZDIDTESA-N |