7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | D037-0105 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C24 H20 O7 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7801 |
| logD: | 4.7801 |
| logSw: | -4.6462 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.079 |
| InChI Key: | QYIMNCZYIXUDFJ-UHFFFAOYSA-N |