N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0432 |
| Compound Name: | N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C18 H21 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1451 |
| logD: | -1.5505 |
| logSw: | -2.4138 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.842 |
| InChI Key: | HLHNJJRMLDECEF-UHFFFAOYSA-N |