1-(benzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
1-(benzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
1-(benzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | K653-0172 |
| Compound Name: | 1-(benzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C20 H15 N3 O4 S2 |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)Sc1nc2ccccc2n1S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8629 |
| logD: | 4.8629 |
| logSw: | -5.0233 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.245 |
| InChI Key: | KGJQSNFEROTBCI-UHFFFAOYSA-N |