methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alaninate
Chemical Structure Depiction of
methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alaninate
methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alaninate
Compound characteristics
| Compound ID: | Y041-5211 |
| Compound Name: | methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]alaninate |
| Molecular Weight: | 304.3 |
| Molecular Formula: | C14 H16 N4 O4 |
| Smiles: | C[C@@H](C(=O)OC)NC([C@H](C)N1C(c2ccccc2N=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4448 |
| logD: | 1.4448 |
| logSw: | -1.9723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.759 |
| InChI Key: | POQWJCBBPCZJBR-IUCAKERBSA-N |