3-[(benzenesulfonyl)acetyl]-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(benzenesulfonyl)acetyl]-6-chloro-2H-1-benzopyran-2-one
3-[(benzenesulfonyl)acetyl]-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0482 |
| Compound Name: | 3-[(benzenesulfonyl)acetyl]-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 362.79 |
| Molecular Formula: | C17 H11 Cl O5 S |
| Smiles: | C(C(C1=Cc2cc(ccc2OC1=O)[Cl])=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6003 |
| logD: | 2.6003 |
| logSw: | -3.0385 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.172 |
| InChI Key: | AQKWISLEGHWNSN-UHFFFAOYSA-N |