6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y041-1934 |
| Compound Name: | 6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 506.02 |
| Molecular Formula: | C25 H28 Cl N O6 S |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC([C@H]([C@H](C)CC)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9519 |
| logD: | 5.9518 |
| logSw: | -6.0518 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.706 |
| InChI Key: | HRNYPKNAFAGGCX-GYCJOSAFSA-N |