2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0040 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate |
| Molecular Weight: | 423.4 |
| Molecular Formula: | C21 H13 N O7 S |
| Smiles: | C(C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4514 |
| logD: | 4.4514 |
| logSw: | -4.5371 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.387 |
| InChI Key: | JAUWBIIFCBVCAU-UHFFFAOYSA-N |