8-ethoxy-1,3-dimethyl-6-[4-(methylsulfanyl)phenyl]-4H-cyclohepta[c]furan-4-one
Chemical Structure Depiction of
8-ethoxy-1,3-dimethyl-6-[4-(methylsulfanyl)phenyl]-4H-cyclohepta[c]furan-4-one
8-ethoxy-1,3-dimethyl-6-[4-(methylsulfanyl)phenyl]-4H-cyclohepta[c]furan-4-one
Compound characteristics
| Compound ID: | 3998-0013 |
| Compound Name: | 8-ethoxy-1,3-dimethyl-6-[4-(methylsulfanyl)phenyl]-4H-cyclohepta[c]furan-4-one |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C20 H20 O3 S |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.9245 |
| logD: | 4.9245 |
| logSw: | -4.782 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.2605 |
| InChI Key: | FQAULSUKFDHMBV-UHFFFAOYSA-N |