N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-alanine
Chemical Structure Depiction of
N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-alanine
N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-alanine
Compound characteristics
| Compound ID: | Y041-4851 |
| Compound Name: | N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-alanine |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C20 H27 N O5 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(CN[C@H](C)C(O)=O)c2OC1=O)O |
| Stereo: | ABSOLUTE |
| logP: | 3.5761 |
| logD: | 0.8194 |
| logSw: | -3.3679 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.792 |
| InChI Key: | WQBHXMNVRLHENQ-ZDUSSCGKSA-N |