N-[(1H-benzimidazol-2-yl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-[(1H-benzimidazol-2-yl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8017-5225 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C17 H20 N6 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(NCc2nc3ccccc3[nH]2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1076 |
| logD: | 1.107 |
| logSw: | -2.0993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.031 |
| InChI Key: | ZJDZISFJIXQMGK-UHFFFAOYSA-N |