N-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Chemical Structure Depiction of
N-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
N-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Compound characteristics
| Compound ID: | Y040-8345 |
| Compound Name: | N-{2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C22 H29 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OC(C)C(N[C@@H](C)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5783 |
| logD: | -0.0703 |
| logSw: | -3.4967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.205 |
| InChI Key: | XIYMXSVLSYROPW-MLCCFXAWSA-N |