6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5315 |
| Compound Name: | 6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C19 H17 Cl O5 S |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1264 |
| logD: | 5.1264 |
| logSw: | -5.5221 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.494 |
| InChI Key: | VXSZZONCQNSJPY-UHFFFAOYSA-N |