N-[(1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-[(1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | Y042-1715 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C14 H14 N6 O3 |
| Smiles: | C(CC(NCc1nc2ccccc2[nH]1)=O)C1C(NC(=NN=1)O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0502 |
| logD: | -3.5396 |
| logSw: | -1.9346 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.318 |
| InChI Key: | NOCLKYBJKZACKN-UHFFFAOYSA-N |