3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5385 |
| Compound Name: | 3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C24 H19 Cl O5 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2101 |
| logD: | 6.2101 |
| logSw: | -6.1052 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.737 |
| InChI Key: | DFMATYYDUIAUTI-UHFFFAOYSA-N |