N-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
N-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | Y041-2345 |
| Compound Name: | N-[(5-methoxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC1=C(CC(NCCC(O)=O)=O)C(=O)Oc2cc(C)cc(c12)OC |
| Stereo: | ACHIRAL |
| logP: | 0.7081 |
| logD: | -1.9876 |
| logSw: | -1.4427 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.487 |
| InChI Key: | DJPSGQRGPKNACT-UHFFFAOYSA-N |