methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate
methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y043-4929 |
| Compound Name: | methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1-benzofuran-5-yl]oxy}acetate |
| Molecular Weight: | 382.37 |
| Molecular Formula: | C21 H18 O7 |
| Smiles: | COC(COc1ccc2c(c1)c(co2)C(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5 |
| logD: | 2.5 |
| logSw: | -2.8724 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.497 |
| InChI Key: | JNLIOWCRBHBHJR-UHFFFAOYSA-N |