5-chloro-2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
5-chloro-2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
5-chloro-2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-5585 |
| Compound Name: | 5-chloro-2-{[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 418.82 |
| Molecular Formula: | C16 H11 Cl N6 O4 S |
| Smiles: | Cc1c(C#N)c(nc(C)c1[Cl])SCc1nc2cc(c(cc2[nH]1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3081 |
| logD: | 4.0072 |
| logSw: | -5.0401 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.79 |
| InChI Key: | HPUNHTPUTADZRO-UHFFFAOYSA-N |