4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y041-1644 |
| Compound Name: | 4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C27 H25 N O6 S |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OC([C@H](Cc1ccccc1)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.0717 |
| logD: | 5.0716 |
| logSw: | -4.7555 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.626 |
| InChI Key: | YNTBWIBTGJZAAA-DEOSSOPVSA-N |