3-[(2,5-dimethoxybenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(2,5-dimethoxybenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
3-[(2,5-dimethoxybenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0430 |
| Compound Name: | 3-[(2,5-dimethoxybenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 388.39 |
| Molecular Formula: | C19 H16 O7 S |
| Smiles: | COc1ccc(c(c1)S(CC(C1=Cc2ccccc2OC1=O)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2526 |
| logD: | 2.2526 |
| logSw: | -2.7951 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.346 |
| InChI Key: | MNLBKBCAEFZATB-UHFFFAOYSA-N |