3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0100 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C17 H14 O4 S |
| Smiles: | Cc1ccc(cc1C)S(C1=Cc2ccccc2OC1=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6673 |
| logD: | 3.6673 |
| logSw: | -3.9061 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | QJZBKHLQLMEOGM-UHFFFAOYSA-N |