2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | D037-0468 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C24 H16 O5 S |
| Smiles: | Cc1ccc2c(c1)c(C)c(C(=O)Oc1cc(c3ccccc3)c3c(c1)SC(=O)O3)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.322 |
| logD: | 6.322 |
| logSw: | -5.7298 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.627 |
| InChI Key: | UYSSNMXFQXUEHV-UHFFFAOYSA-N |