2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1-methyl-1H-benzimidazol-2-yl)acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1-methyl-1H-benzimidazol-2-yl)acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1-methyl-1H-benzimidazol-2-yl)acetamide
Compound characteristics
| Compound ID: | K061-0119 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1-methyl-1H-benzimidazol-2-yl)acetamide |
| Molecular Weight: | 393.2 |
| Molecular Formula: | C14 H13 Br N6 O3 |
| Smiles: | Cc1c(c(nn1CC(Nc1nc2ccccc2n1C)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.9531 |
| logD: | 1.9531 |
| logSw: | -2.4923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.325 |
| InChI Key: | DVLVEJSFXXWBCV-UHFFFAOYSA-N |