1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 4-methylbenzoate
Chemical Structure Depiction of
1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 4-methylbenzoate
1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | D313-0076 |
| Compound Name: | 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 4-methylbenzoate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C23 H18 O4 S |
| Smiles: | Cc1ccc(cc1)C(=O)OC1=CC(=CC(c2c1c(C)oc2C)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 5.1544 |
| logD: | 5.1544 |
| logSw: | -5.2169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.533 |
| InChI Key: | VBNIORJRTUWUJY-UHFFFAOYSA-N |