1-(2-methyl-5-nitrobenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
1-(2-methyl-5-nitrobenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
1-(2-methyl-5-nitrobenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | K653-0175 |
| Compound Name: | 1-(2-methyl-5-nitrobenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C21 H16 N4 O6 S2 |
| Smiles: | Cc1ccc(cc1S(n1c2ccccc2nc1SCc1cccc(c1)[N+]([O-])=O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4094 |
| logD: | 5.4094 |
| logSw: | -5.4821 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.627 |
| InChI Key: | QEKUZDWLFVMUBP-UHFFFAOYSA-N |