N-{[(6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-1375 |
| Compound Name: | N-{[(6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CCc1cc2C(C)=CC(=O)Oc2cc1OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8215 |
| logD: | -1.8742 |
| logSw: | -1.7619 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.928 |
| InChI Key: | XWQPQRJBYFZPDN-UHFFFAOYSA-N |