benzyl [(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
benzyl [(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
benzyl [(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-7720 |
| Compound Name: | benzyl [(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 448.9 |
| Molecular Formula: | C26 H21 Cl O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0658 |
| logD: | 6.0658 |
| logSw: | -6.0819 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.737 |
| InChI Key: | XYBOUAJUZPCHOO-UHFFFAOYSA-N |