8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5335 |
| Compound Name: | 8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C20 H20 O5 S |
| Smiles: | CCCC1=CC(=O)Oc2c1ccc(c2C)OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7377 |
| logD: | 4.7377 |
| logSw: | -4.614 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.178 |
| InChI Key: | YEWRQSONRKRVPZ-UHFFFAOYSA-N |