N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alanine
Chemical Structure Depiction of
N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alanine
N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alanine
Compound characteristics
| Compound ID: | Y040-2749 |
| Compound Name: | N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alanine |
| Molecular Weight: | 290.28 |
| Molecular Formula: | C13 H14 N4 O4 |
| Smiles: | C[C@@H](C(O)=O)NC([C@H](C)N1C(c2ccccc2N=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4015 |
| logD: | -3.2892 |
| logSw: | -2.0001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.994 |
| InChI Key: | WDFUJPVLSHMSLI-YUMQZZPRSA-N |