3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate
Chemical Structure Depiction of
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5387 |
| Compound Name: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate |
| Molecular Weight: | 440.9 |
| Molecular Formula: | C23 H17 Cl O5 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OS(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5013 |
| logD: | 5.5013 |
| logSw: | -5.9377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.65 |
| InChI Key: | HWNRYWHZMFEHMT-UHFFFAOYSA-N |