N-{[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine
N-{[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0422 |
| Compound Name: | N-{[(7-methyl-2-oxo-4-propyl-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C18 H21 N O6 |
| Smiles: | CCCC1=CC(=O)Oc2cc(C)cc(c12)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3859 |
| logD: | -1.3097 |
| logSw: | -1.7815 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.928 |
| InChI Key: | YZKIGZIQLHMZKX-UHFFFAOYSA-N |