N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Chemical Structure Depiction of
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Compound characteristics
| Compound ID: | Y042-8583 |
| Compound Name: | N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine |
| Molecular Weight: | 423.46 |
| Molecular Formula: | C24 H25 N O6 |
| Smiles: | CC(C(N[C@@H](C)C(O)=O)=O)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1369 |
| logD: | -0.5117 |
| logSw: | -3.3245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.705 |
| InChI Key: | QNQORKPXIPGGOB-VYRBHSGPSA-N |