N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-8347 |
| Compound Name: | N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C22 H29 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4527 |
| logD: | 0.757 |
| logSw: | -3.5294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.127 |
| InChI Key: | NISJYFXYLUHDFR-UHFFFAOYSA-N |