6-bromo-3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
6-bromo-3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1055 |
| Compound Name: | 6-bromo-3-(4-tert-butylbenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 451.33 |
| Molecular Formula: | C20 H19 Br O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=Cc2cc(cc(c2OC1=O)OC)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4673 |
| logD: | 5.4673 |
| logSw: | -5.5531 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.976 |
| InChI Key: | PCBNHGIHBVIWJI-UHFFFAOYSA-N |