methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y041-2007 |
| Compound Name: | methyl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C22 H20 O7 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(=O)OC)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.3894 |
| logD: | 2.3894 |
| logSw: | -2.8919 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.558 |
| InChI Key: | UOFGIACUSOQJNN-UHFFFAOYSA-N |