4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y041-1655 |
| Compound Name: | 4-ethyl-8-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: | CCC1=CC(=O)Oc2c1ccc(c2C)OC([C@H](Cc1ccccc1)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.4964 |
| logD: | 5.4964 |
| logSw: | -5.4898 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.397 |
| InChI Key: | DINGRQFIITUUQW-DEOSSOPVSA-N |