3-(3,4-dimethylbenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
3-(3,4-dimethylbenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0109 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 344.38 |
| Molecular Formula: | C18 H16 O5 S |
| Smiles: | Cc1ccc(cc1C)S(C1=Cc2cc(ccc2OC1=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6718 |
| logD: | 3.6718 |
| logSw: | -3.9648 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.205 |
| InChI Key: | VRZZAMCJWMONTA-UHFFFAOYSA-N |