4-butyl-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-butyl-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-0740 |
| Compound Name: | 4-butyl-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C24 H24 O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0481 |
| logD: | 4.0481 |
| logSw: | -4.3179 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.274 |
| InChI Key: | JQJCZNZQGFYNSB-UHFFFAOYSA-N |