N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-L-alanine
Chemical Structure Depiction of
N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-L-alanine
N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-L-alanine
Compound characteristics
| Compound ID: | Y042-9571 |
| Compound Name: | N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-L-alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC1=C(CCC(N[C@@H](C)C(O)=O)=O)C(=O)Oc2c1ccc(c2C)O |
| Stereo: | ABSOLUTE |
| logP: | 0.9001 |
| logD: | -2.7486 |
| logSw: | -2.2231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.435 |
| InChI Key: | WHXLFNDHQHGOGO-JTQLQIEISA-N |