4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y042-9342 |
| Compound Name: | 4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C24 H27 N O6 S |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OC([C@H]([C@H](C)CC)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8006 |
| logD: | 4.8006 |
| logSw: | -4.541 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.619 |
| InChI Key: | BNJFGHNPNXXXKQ-MWTRTKDXSA-N |