N-(1H-benzimidazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-(1H-benzimidazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
N-(1H-benzimidazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | D584-0498 |
| Compound Name: | N-(1H-benzimidazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C25 H23 N7 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(Nc2nc3ccccc3[nH]2)=O)C(n2c1nc(c1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.703 |
| logD: | 3.703 |
| logSw: | -4.0512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.036 |
| InChI Key: | DMHHQNYOJBGGNG-UHFFFAOYSA-N |