methyl 3-(4-methylbenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-(4-methylbenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-(4-methylbenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | C566-0276 |
| Compound Name: | methyl 3-(4-methylbenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C18 H14 O6 S |
| Smiles: | Cc1ccc(cc1)S(C1=Cc2cc(ccc2OC1=O)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.403 |
| logD: | 3.403 |
| logSw: | -3.6864 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.835 |
| InChI Key: | DRYUFXZMJKRORR-UHFFFAOYSA-N |