N-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine
N-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0496 |
| Compound Name: | N-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC1=C(C)c2c(cc(C)cc2OC1=O)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0323 |
| logD: | -1.6634 |
| logSw: | -1.6136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.443 |
| InChI Key: | BFTRNEQEOULUGT-UHFFFAOYSA-N |