7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-2H-1-benzopyran-2-one
7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-0743 |
| Compound Name: | 7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C22 H20 O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.055 |
| logD: | 3.055 |
| logSw: | -3.4252 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.274 |
| InChI Key: | ILDHMWZRRBSZIS-UHFFFAOYSA-N |