2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate
Compound characteristics
| Compound ID: | D037-0067 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate |
| Molecular Weight: | 382.82 |
| Molecular Formula: | C20 H11 Cl O4 S |
| Smiles: | c1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3628 |
| logD: | 5.3628 |
| logSw: | -5.9367 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.101 |
| InChI Key: | MFHYHMBRYYIKJF-UHFFFAOYSA-N |