6-tert-butyl-3-(4-tert-butylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-3-(4-tert-butylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
6-tert-butyl-3-(4-tert-butylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1033 |
| Compound Name: | 6-tert-butyl-3-(4-tert-butylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C23 H26 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=Cc2cc(cc(c2OC1=O)O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1214 |
| logD: | 6.1152 |
| logSw: | -5.418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.893 |
| InChI Key: | ZZXMJENNLQJHBR-UHFFFAOYSA-N |