methyl 3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | C566-0277 |
| Compound Name: | methyl 3-(4-fluorobenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 362.33 |
| Molecular Formula: | C17 H11 F O6 S |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)S(c2ccc(cc2)F)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0086 |
| logD: | 3.0086 |
| logSw: | -3.4618 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.835 |
| InChI Key: | DZKCMSMCFLEPRN-UHFFFAOYSA-N |