6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-leucinate
Chemical Structure Depiction of
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-leucinate
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-leucinate
Compound characteristics
| Compound ID: | Y041-1511 |
| Compound Name: | 6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-leucinate |
| Molecular Weight: | 491.99 |
| Molecular Formula: | C24 H26 Cl N O6 S |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC([C@H](CC(C)C)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.5685 |
| logD: | 5.5684 |
| logSw: | -6.0205 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.984 |
| InChI Key: | KAGXEARZDOGGRF-FQEVSTJZSA-N |