3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0015 |
| Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C20 H20 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=Cc2cccc(c2OC1=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5214 |
| logD: | 4.5214 |
| logSw: | -4.5528 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.976 |
| InChI Key: | WHWNYCCITBAOCA-UHFFFAOYSA-N |