N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-alanine
Chemical Structure Depiction of
N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-alanine
N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-alanine
Compound characteristics
| Compound ID: | Y040-3991 |
| Compound Name: | N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-alanine |
| Molecular Weight: | 319.31 |
| Molecular Formula: | C16 H17 N O6 |
| Smiles: | CC1=C(CCC(N[C@H](C)C(O)=O)=O)C(=O)Oc2cc(ccc12)O |
| Stereo: | ABSOLUTE |
| logP: | 0.3354 |
| logD: | -3.3132 |
| logSw: | -2.1895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.82 |
| InChI Key: | SQMWWMUHXZKECN-VIFPVBQESA-N |