3-(4-tert-butylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
3-(4-tert-butylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0039 |
| Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C21 H22 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)S(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0389 |
| logD: | 5.0389 |
| logSw: | -4.702 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.555 |
| InChI Key: | XGUNTWVGAPCRQN-UHFFFAOYSA-N |