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 |