3-(4-tert-butylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
3-(4-tert-butylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0063 |
| Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C20 H20 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=Cc2ccc(cc2OC1=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6765 |
| logD: | 4.6765 |
| logSw: | -4.6374 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.205 |
| InChI Key: | LBZCOYMCMYAPTQ-UHFFFAOYSA-N |