2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 4264-0940 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate |
| Molecular Weight: | 393.37 |
| Molecular Formula: | C20 H11 N O6 S |
| Smiles: | c1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7459 |
| logD: | 4.7459 |
| logSw: | -4.8829 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.483 |
| InChI Key: | ALXSEFPKSKHEBE-UHFFFAOYSA-N |