3-(4-bromobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-bromobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
3-(4-bromobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0259 |
| Compound Name: | 3-(4-bromobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 465.36 |
| Molecular Formula: | C21 H21 Br O5 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9139 |
| logD: | 5.9003 |
| logSw: | -5.1293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.209 |
| InChI Key: | VRZOSYKBGFJYFT-UHFFFAOYSA-N |