7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Compound characteristics
| Compound ID: | D037-0658 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate |
| Molecular Weight: | 440.86 |
| Molecular Formula: | C22 H13 Cl O6 S |
| Smiles: | C1C(C(=O)Oc2cc(c3ccc(cc3)[Cl])c3c(c2)SC(=O)O3)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5222 |
| logD: | 5.5222 |
| logSw: | -5.9688 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.538 |
| InChI Key: | VNSGTZVWZFFQAK-SFHVURJKSA-N |