8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0498 |
| Compound Name: | 8-methoxy-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 372.39 |
| Molecular Formula: | C19 H16 O6 S |
| Smiles: | Cc1ccc(cc1)S(CC(C1=Cc2cccc(c2OC1=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5457 |
| logD: | 2.5457 |
| logSw: | -2.7358 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.487 |
| InChI Key: | QRUUGPQWQJDWNN-UHFFFAOYSA-N |