6-chloro-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
6-chloro-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0483 |
| Compound Name: | 6-chloro-3-[(4-methylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 376.81 |
| Molecular Formula: | C18 H13 Cl O5 S |
| Smiles: | Cc1ccc(cc1)S(CC(C1=Cc2cc(ccc2OC1=O)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2087 |
| logD: | 3.2087 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.172 |
| InChI Key: | WQJYUNQTYCODEI-UHFFFAOYSA-N |