3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Chemical Structure Depiction of
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Compound characteristics
| Compound ID: | 4182-0751 |
| Compound Name: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate |
| Molecular Weight: | 344.38 |
| Molecular Formula: | C18 H16 O5 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2689 |
| logD: | 3.2689 |
| logSw: | -3.5975 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.037 |
| InChI Key: | FNVRQJZWEFVUOH-UHFFFAOYSA-N |