3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoic acid
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoic acid
3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoic acid
Compound characteristics
| Compound ID: | 8014-1140 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoic acid |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C21 H19 N O7 |
| Smiles: | COc1ccc(cc1OC)C(CC(O)=O)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.916 |
| logD: | -0.7218 |
| logSw: | -2.7153 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.849 |
| InChI Key: | MRZOHXVESLCTCR-HNNXBMFYSA-N |