2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazole
2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | K653-0021 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 443.47 |
| Molecular Formula: | C20 H14 F N3 O4 S2 |
| Smiles: | C(c1ccccc1F)Sc1nc2ccccc2n1S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3328 |
| logD: | 5.3328 |
| logSw: | -5.7853 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.245 |
| InChI Key: | UVURTPGLLSYQBD-UHFFFAOYSA-N |