3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0089 |
| Compound Name: | 3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 328.38 |
| Molecular Formula: | C18 H16 O4 S |
| Smiles: | CC(C)c1ccc(cc1)S(C1=Cc2ccccc2OC1=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1163 |
| logD: | 4.1163 |
| logSw: | -4.3688 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | BDTFDDPOUYRFIR-UHFFFAOYSA-N |