N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | Y041-2395 |
| Compound Name: | N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-beta-alanine |
| Molecular Weight: | 349.34 |
| Molecular Formula: | C17 H19 N O7 |
| Smiles: | CC1=C(CC(NCCC(O)=O)=O)C(=O)Oc2cc(c(cc12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 0.1851 |
| logD: | -2.5105 |
| logSw: | -1.5089 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.118 |
| InChI Key: | HWEHCJQCUPPMFT-UHFFFAOYSA-N |