N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-9144 |
| Compound Name: | N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C21 H27 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8776 |
| logD: | 0.1819 |
| logSw: | -3.2 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.356 |
| InChI Key: | PSKLWCDKWPBJGR-UHFFFAOYSA-N |