3-[(benzenesulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(benzenesulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one
3-[(benzenesulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0512 |
| Compound Name: | 3-[(benzenesulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C18 H14 O6 S |
| Smiles: | COc1ccc2C=C(C(CS(c3ccccc3)(=O)=O)=O)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0923 |
| logD: | 2.0923 |
| logSw: | -2.8185 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.715 |
| InChI Key: | ZPYQSVCUMFCKDG-UHFFFAOYSA-N |