2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazole
2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | K653-0023 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C21 H16 F N3 O4 S2 |
| Smiles: | Cc1ccc(cc1S(n1c2ccccc2nc1SCc1ccccc1F)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8338 |
| logD: | 5.8338 |
| logSw: | -5.5633 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.245 |
| InChI Key: | XGGVIIICGKLMBN-UHFFFAOYSA-N |