N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-8356 |
| Compound Name: | N-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C23 H31 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)OC(C)C(NCCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1338 |
| logD: | 1.4382 |
| logSw: | -4.1409 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.63 |
| InChI Key: | UZELSAQNJDZJPL-INIZCTEOSA-N |