2-(2-hydroxyethyl)-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
2-(2-hydroxyethyl)-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-(2-hydroxyethyl)-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D159-0883 |
| Compound Name: | 2-(2-hydroxyethyl)-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C22 H21 N O4 S |
| Smiles: | Cc1cc(C)c2C(C3C(c4ccc(cc4)SC)N(CCO)C(C=3Oc2c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0823 |
| logD: | 4.0823 |
| logSw: | -4.3705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.639 |
| InChI Key: | SGGIXDRZMZZCET-LJQANCHMSA-N |