6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y040-8123 |
| Compound Name: | 6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C28 H27 N O6 S |
| Smiles: | CCc1cc2C(C)=CC(=O)Oc2cc1OC([C@H](Cc1ccccc1)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.5954 |
| logD: | 5.5954 |
| logSw: | -5.4552 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.712 |
| InChI Key: | CETRJRKSSZCPAU-DEOSSOPVSA-N |