N-[(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-L-alanine
Chemical Structure Depiction of
N-[(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-L-alanine
N-[(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-L-alanine
Compound characteristics
| Compound ID: | Y040-4398 |
| Compound Name: | N-[(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-L-alanine |
| Molecular Weight: | 349.34 |
| Molecular Formula: | C17 H19 N O7 |
| Smiles: | CC1=C(CC(N[C@@H](C)C(O)=O)=O)C(=O)Oc2c1ccc(c2OC)OC |
| Stereo: | ABSOLUTE |
| logP: | 0.5564 |
| logD: | -3.0923 |
| logSw: | -2.0563 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.235 |
| InChI Key: | WTBLBDQOALNXAP-VIFPVBQESA-N |