2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | D037-0003 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C21 H14 O4 S |
| Smiles: | Cc1cccc(c1)C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.0711 |
| logD: | 5.0711 |
| logSw: | -4.8433 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.101 |
| InChI Key: | NPMCWARBKUEVME-UHFFFAOYSA-N |