3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid
Chemical Structure Depiction of
3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid
3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid
Compound characteristics
| Compound ID: | Y040-9033 |
| Compound Name: | 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid |
| Molecular Weight: | 434.44 |
| Molecular Formula: | C25 H22 O7 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1cc1c(coc1c2C)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.8812 |
| logD: | 1.3849 |
| logSw: | -4.0594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.904 |
| InChI Key: | GVKPXLKKRLVABN-UHFFFAOYSA-N |