7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-benzyl-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-benzyl-4,8-dimethyl-2H-1-benzopyran-2-one
7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-benzyl-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1971 |
| Compound Name: | 7-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-benzyl-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C27 H22 O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5755 |
| logD: | 5.5755 |
| logSw: | -5.5967 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.249 |
| InChI Key: | ZXGTZCQHTFECGW-UHFFFAOYSA-N |