3-(3,4-dimethoxyphenyl)-3-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]propanoic acid
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-3-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]propanoic acid
3-(3,4-dimethoxyphenyl)-3-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]propanoic acid
Compound characteristics
| Compound ID: | D715-0735 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-3-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]propanoic acid |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C20 H20 N4 O6 |
| Smiles: | COc1ccc(cc1OC)C(CC(O)=O)NC(CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1643 |
| logD: | -1.4735 |
| logSw: | -2.3529 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.679 |
| InChI Key: | URKRWYDBNGQTJU-HNNXBMFYSA-N |