7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-8-methyl-2H-1-benzopyran-2-one
7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-0741 |
| Compound Name: | 7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 394.42 |
| Molecular Formula: | C23 H22 O6 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OCC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6375 |
| logD: | 3.6375 |
| logSw: | -3.9274 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.045 |
| InChI Key: | HTEQNXABTWOGIZ-UHFFFAOYSA-N |