N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine
Chemical Structure Depiction of
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine
Compound characteristics
| Compound ID: | Y040-8371 |
| Compound Name: | N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C26 H29 N O6 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(C(C)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2037 |
| logD: | -0.3834 |
| logSw: | -3.3809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.894 |
| InChI Key: | IEHLEPKJVREKNN-UGNFMNBCSA-N |