2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole
2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole
Compound characteristics
| Compound ID: | 4327-3210 |
| Compound Name: | 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-6-nitro-1H-benzimidazole |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C14 H13 N5 O2 S |
| Smiles: | Cc1cc(C)nc(n1)SCc1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0697 |
| logD: | 3.0499 |
| logSw: | -3.2416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.536 |
| InChI Key: | VOLMITBBTHYMNC-UHFFFAOYSA-N |