3-(4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl)propanoic acid
3-(4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 8019-6686 |
| Compound Name: | 3-(4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl)propanoic acid |
| Molecular Weight: | 258.23 |
| Molecular Formula: | C12 H10 N4 O3 |
| Smiles: | [H]N1C2=NN=C(CCC(=O)O[H])C(N2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 0.706 |
| logD: | -1.9533 |
| logSw: | -1.8253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.277 |
| InChI Key: | DCKJIIIAIYMTJA-UHFFFAOYSA-N |