7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate
Chemical Structure Depiction of
7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate
7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate
Compound characteristics
| Compound ID: | D037-0363 |
| Compound Name: | 7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-fluorobenzoate |
| Molecular Weight: | 380.39 |
| Molecular Formula: | C21 H13 F O4 S |
| Smiles: | Cc1cccc(c1)c1cc(cc2c1OC(=O)S2)OC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2636 |
| logD: | 5.2636 |
| logSw: | -5.1997 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.101 |
| InChI Key: | NDVLSGBIPUCOLS-UHFFFAOYSA-N |