4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5372 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 406.88 |
| Molecular Formula: | C20 H19 Cl O5 S |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6065 |
| logD: | 5.6065 |
| logSw: | -5.9387 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.494 |
| InChI Key: | KGIWGGHOBOFEAM-UHFFFAOYSA-N |