8-methoxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
8-methoxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0010 |
| Compound Name: | 8-methoxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C17 H14 O5 S |
| Smiles: | Cc1ccc(cc1)S(C1=Cc2cccc(c2OC1=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1504 |
| logD: | 3.1504 |
| logSw: | -3.4118 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.976 |
| InChI Key: | PHLHCRGAWUDTEH-UHFFFAOYSA-N |