1-{[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}propan-2-one
Chemical Structure Depiction of
1-{[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}propan-2-one
1-{[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}propan-2-one
Compound characteristics
| Compound ID: | Y041-6453 |
| Compound Name: | 1-{[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}propan-2-one |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C21 H18 O6 |
| Smiles: | CC(COc1ccc2c(c1)c(co2)C(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4966 |
| logD: | 2.4966 |
| logSw: | -2.8678 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.254 |
| InChI Key: | SFPMYUPKJLLLPL-UHFFFAOYSA-N |