methyl {6-chloro-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-3859 |
| Compound Name: | methyl {6-chloro-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 414.84 |
| Molecular Formula: | C22 H19 Cl O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.396 |
| logD: | 4.396 |
| logSw: | -4.6321 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.3 |
| InChI Key: | NVULFZGVERXPRN-UHFFFAOYSA-N |