N-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-8322 |
| Compound Name: | N-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC1=C(C)c2ccc(c(C)c2OC1=O)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8437 |
| logD: | -1.852 |
| logSw: | -2.18 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.127 |
| InChI Key: | DKAVUNCQGBGDEN-UHFFFAOYSA-N |