3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Compound characteristics
| Compound ID: | 4182-0745 |
| Compound Name: | 3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C19 H18 O5 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7269 |
| logD: | 3.7269 |
| logSw: | -4.1877 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.808 |
| InChI Key: | FXSWBYLYGWKGRX-UHFFFAOYSA-N |