N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Chemical Structure Depiction of
N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Compound characteristics
| Compound ID: | Y040-8357 |
| Compound Name: | N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C23 H31 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)OC(C)C(N[C@@H](C)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3086 |
| logD: | 0.6599 |
| logSw: | -4.3028 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.976 |
| InChI Key: | OBMAGMUWXPNRSR-VYRBHSGPSA-N |