N-[(1H-benzimidazol-2-yl)methyl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
N-[(1H-benzimidazol-2-yl)methyl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-5123 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 393.2 |
| Molecular Formula: | C14 H13 Br N6 O3 |
| Smiles: | Cc1c(c(nn1CC(NCc1nc2ccccc2[nH]1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.7621 |
| logD: | 1.7587 |
| logSw: | -2.3499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.011 |
| InChI Key: | IENHCELRRRXBCZ-UHFFFAOYSA-N |