2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 5408-1915 |
| Compound Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 376.83 |
| Molecular Formula: | C17 H9 Cl O4 S2 |
| Smiles: | Cc1ccc2c(c(C(=O)Oc3ccc4c(c3)SC(=O)O4)sc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2725 |
| logD: | 5.2725 |
| logSw: | -5.9032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.435 |
| InChI Key: | CRTWFJKSJRSDNW-UHFFFAOYSA-N |