6-tert-butyl-8-hydroxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-8-hydroxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6-tert-butyl-8-hydroxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1030 |
| Compound Name: | 6-tert-butyl-8-hydroxy-3-(4-methoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C20 H20 O6 S |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3093 |
| logD: | 4.3031 |
| logSw: | -4.2096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.437 |
| InChI Key: | CPZANCOAKGZBOI-UHFFFAOYSA-N |