5-benzyl-2-methyl-4-[1-(1-methyl-1H-imidazole-4-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-benzyl-2-methyl-4-[1-(1-methyl-1H-imidazole-4-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-benzyl-2-methyl-4-[1-(1-methyl-1H-imidazole-4-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | CM4613-6216 |
| Compound Name: | 5-benzyl-2-methyl-4-[1-(1-methyl-1H-imidazole-4-sulfonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C19 H24 N6 O3 S |
| Smiles: | CN1C(N(C2CCN(CC2)S(c2cn(C)cn2)(=O)=O)C(Cc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5234 |
| logD: | 1.5234 |
| logSw: | -1.8759 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.104 |
| InChI Key: | WAEYHHCVJPHXOL-UHFFFAOYSA-N |