4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl thiophene-2-carboxylate
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | D132-0079 |
| Compound Name: | 4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C25 H22 O6 S |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(c(c1)OC)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2533 |
| logD: | 5.2533 |
| logSw: | -5.2673 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.374 |
| InChI Key: | SCKKPGWXCXFXAY-UHFFFAOYSA-N |