methyl {6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2323 |
| Compound Name: | methyl {6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 451.26 |
| Molecular Formula: | C21 H16 Cl2 O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.0408 |
| logD: | 5.0408 |
| logSw: | -5.1724 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.169 |
| InChI Key: | FTCOYMLCCTVGJD-UHFFFAOYSA-N |