7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate
Compound characteristics
| Compound ID: | D037-0101 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-ethoxybenzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H18 O5 S |
| Smiles: | CCOc1ccc(cc1)C(=O)Oc1cc(c2ccc(C)cc2)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.7177 |
| logD: | 5.7177 |
| logSw: | -5.4955 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.225 |
| InChI Key: | MWTMILZXUKTIHH-UHFFFAOYSA-N |