2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 5408-1914 |
| Compound Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 362.36 |
| Molecular Formula: | C17 H14 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.4636 |
| logD: | 2.4636 |
| logSw: | -2.9091 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.666 |
| InChI Key: | CIUMTMZKEWPCCY-UHFFFAOYSA-N |