N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}valine
Chemical Structure Depiction of
N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}valine
N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}valine
Compound characteristics
| Compound ID: | Y042-8538 |
| Compound Name: | N-{2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]propanoyl}valine |
| Molecular Weight: | 375.42 |
| Molecular Formula: | C20 H25 N O6 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(C(C)Oc1cc(C)cc2c1C(C)=C(C)C(=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.966 |
| logD: | -1.6211 |
| logSw: | -2.1579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.481 |
| InChI Key: | JJCIEEOIMMODHY-RUINGEJQSA-N |