methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]methioninate
Chemical Structure Depiction of
methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]methioninate
methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]methioninate
Compound characteristics
| Compound ID: | Y041-5217 |
| Compound Name: | methyl N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]methioninate |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C16 H20 N4 O4 S |
| Smiles: | C[C@@H](C(N[C@@H](CCSC)C(=O)OC)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6716 |
| logD: | 1.6716 |
| logSw: | -2.531 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.227 |
| InChI Key: | XZDAPIRGMYYAOY-GWCFXTLKSA-N |