3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y041-5384 |
| Compound Name: | 3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C24 H20 O5 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1628 |
| logD: | 5.1628 |
| logSw: | -5.2588 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.421 |
| InChI Key: | ZBSLJGUBHBFWIO-UHFFFAOYSA-N |