N-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
N-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
Compound characteristics
Compound ID: | Y041-1845 |
Compound Name: | N-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine |
Molecular Weight: | 319.31 |
Molecular Formula: | C16 H17 N O6 |
Smiles: | CC1=C(CC(NCCC(O)=O)=O)C(=O)Oc2c1ccc(c2C)O |
Stereo: | ACHIRAL |
logP: | 0.3032 |
logD: | -2.3924 |
logSw: | -2.114 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 90.089 |
InChI Key: | AGFBGMSPOMHDRS-UHFFFAOYSA-N |