2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8011-7267 |
| Compound Name: | 2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 384.37 |
| Molecular Formula: | C16 H12 N6 O4 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCc1nc2cc(c(cc2[nH]1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4414 |
| logD: | 3.1406 |
| logSw: | -4.0239 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.02 |
| InChI Key: | LHEMXVWORLMXRT-UHFFFAOYSA-N |