4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl thiophene-2-carboxylate
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | D313-0120 |
| Compound Name: | 4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl thiophene-2-carboxylate |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C24 H20 O5 S |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2564 |
| logD: | 5.2564 |
| logSw: | -5.2572 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.657 |
| InChI Key: | XYVWXCAOOXBBBZ-UHFFFAOYSA-N |