N-[(1H-benzimidazol-2-yl)methyl]-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-[(1H-benzimidazol-2-yl)methyl]-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8017-9229 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 342.36 |
| Molecular Formula: | C16 H18 N6 O3 |
| Smiles: | Cc1cc(nn1CCCC(NCc1nc2ccccc2[nH]1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8485 |
| logD: | 0.8478 |
| logSw: | -2.1038 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.744 |
| InChI Key: | HPTAVMIROYSVLR-UHFFFAOYSA-N |