3-(3,5-dimethylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,5-dimethylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
3-(3,5-dimethylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-7181 |
| Compound Name: | 3-(3,5-dimethylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 344.38 |
| Molecular Formula: | C18 H16 O5 S |
| Smiles: | Cc1cc(C)cc(c1)S(C1=Cc2cccc(c2OC1=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3987 |
| logD: | 3.3987 |
| logSw: | -3.7926 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.976 |
| InChI Key: | UKFQCFLMLZPWSX-UHFFFAOYSA-N |