3-benzyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
3-benzyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7703 |
| Compound Name: | 3-benzyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 448.9 |
| Molecular Formula: | C26 H21 Cl O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.4862 |
| logD: | 6.4862 |
| logSw: | -6.1431 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.002 |
| InChI Key: | KWNKLVJPHAECOW-UHFFFAOYSA-N |