4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Chemical Structure Depiction of
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y041-5392 |
| Compound Name: | 4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C20 H20 O5 S |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6094 |
| logD: | 4.6094 |
| logSw: | -4.6492 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.178 |
| InChI Key: | AAIVNMHNSRBHHK-UHFFFAOYSA-N |