N-(1H-benzimidazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-(1H-benzimidazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-(1H-benzimidazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D527-0198 |
| Compound Name: | N-(1H-benzimidazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C24 H23 N7 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(Nc2nc3ccccc3[nH]2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1261 |
| logD: | 3.1259 |
| logSw: | -3.1503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.782 |
| InChI Key: | JPRAXMAKIDQQIQ-UHFFFAOYSA-N |