N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-8358 |
| Compound Name: | N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C22 H21 N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7059 |
| logD: | -0.9897 |
| logSw: | -2.6062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.085 |
| InChI Key: | LUESWCNVQRWLSN-UHFFFAOYSA-N |