methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-9155 |
| Compound Name: | methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 438.43 |
| Molecular Formula: | C24 H22 O8 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6725 |
| logD: | 2.6725 |
| logSw: | -2.971 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.368 |
| InChI Key: | USMCOIGBFKFYJB-UHFFFAOYSA-N |