N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]phenylalanine
Chemical Structure Depiction of
N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]phenylalanine
N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]phenylalanine
Compound characteristics
| Compound ID: | Y040-2754 |
| Compound Name: | N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]phenylalanine |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | C[C@@H](C(N[C@@H](Cc1ccccc1)C(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4851 |
| logD: | -2.1476 |
| logSw: | -1.9998 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.189 |
| InChI Key: | FUEXJRMNOZHKNQ-LRDDRELGSA-N |