2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | D037-0037 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 438.45 |
| Molecular Formula: | C23 H18 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.2516 |
| logD: | 4.2516 |
| logSw: | -4.5261 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.079 |
| InChI Key: | JWWHYGUZLOEPJW-UHFFFAOYSA-N |