methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-alaninate
Chemical Structure Depiction of
methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-alaninate
methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-alaninate
Compound characteristics
| Compound ID: | Y040-5818 |
| Compound Name: | methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-alaninate |
| Molecular Weight: | 318.33 |
| Molecular Formula: | C15 H18 N4 O4 |
| Smiles: | C[C@@H](C(=O)OC)NC(CCCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6337 |
| logD: | 0.6337 |
| logSw: | -2.1048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.991 |
| InChI Key: | PFMXWAWNESAUQV-JTQLQIEISA-N |