N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Chemical Structure Depiction of
N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine
Compound characteristics
| Compound ID: | D715-0463 |
| Compound Name: | N-{2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}alanine |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC(C(N[C@@H](C)C(O)=O)=O)Oc1ccc2C(C)=C(C)C(=O)Oc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9693 |
| logD: | -2.6793 |
| logSw: | -2.2294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.205 |
| InChI Key: | RXBKJGSJHGUFCN-VUWPPUDQSA-N |