6-methoxy-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
6-methoxy-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0098 |
| Compound Name: | 6-methoxy-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C19 H18 O5 S |
| Smiles: | CC(C)c1ccc(cc1)S(C1=Cc2cc(ccc2OC1=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1209 |
| logD: | 4.1209 |
| logSw: | -4.4368 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.205 |
| InChI Key: | MXVFVQWBBJRLCQ-UHFFFAOYSA-N |