N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-9194 |
| Compound Name: | N-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 319.31 |
| Molecular Formula: | C16 H17 N O6 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2685 |
| logD: | -2.4271 |
| logSw: | -2.2698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.356 |
| InChI Key: | YJFPLJFLTPQTPZ-UHFFFAOYSA-N |