propan-2-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate
Chemical Structure Depiction of
propan-2-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate
propan-2-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y041-6439 |
| Compound Name: | propan-2-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate |
| Molecular Weight: | 410.42 |
| Molecular Formula: | C23 H22 O7 |
| Smiles: | CC(C)OC(COc1ccc2c(c1)c(co2)C(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2593 |
| logD: | 3.2593 |
| logSw: | -3.5247 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.756 |
| InChI Key: | YIFFJBZIPKHACQ-UHFFFAOYSA-N |