3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0422 |
| Compound Name: | 3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C18 H14 O5 S |
| Smiles: | Cc1ccc(cc1)S(CC(C1=Cc2ccccc2OC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5969 |
| logD: | 2.5969 |
| logSw: | -2.9586 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.172 |
| InChI Key: | HAEMGKCRROSTPM-UHFFFAOYSA-N |