6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-2-[(oxolan-2-yl)methyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-2-[(oxolan-2-yl)methyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-2-[(oxolan-2-yl)methyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D159-0900 |
| Compound Name: | 6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-2-[(oxolan-2-yl)methyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C25 H25 N O4 S |
| Smiles: | Cc1cc(C)c2C(C3C(c4ccc(cc4)SC)N(CC4CCCO4)C(C=3Oc2c1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8304 |
| logD: | 4.8304 |
| logSw: | -4.7628 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.387 |
| InChI Key: | VTIMUBGNIHPXIR-UHFFFAOYSA-N |