3-(4-bromobenzene-1-sulfonyl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-bromobenzene-1-sulfonyl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one
3-(4-bromobenzene-1-sulfonyl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1031 |
| Compound Name: | 3-(4-bromobenzene-1-sulfonyl)-6-tert-butyl-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 437.31 |
| Molecular Formula: | C19 H17 Br O5 S |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1609 |
| logD: | 5.1546 |
| logSw: | -4.9057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.893 |
| InChI Key: | WHQNLEMRRZVIJH-UHFFFAOYSA-N |