1-(4-chlorophenyl)-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | K653-0422 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 501.97 |
| Molecular Formula: | C22 H16 Cl N3 O5 S2 |
| Smiles: | Cc1ccc(cc1S(n1c2ccccc2nc1SCC(c1ccc(cc1)[Cl])=O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6671 |
| logD: | 5.6671 |
| logSw: | -5.9571 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.492 |
| InChI Key: | COKTYBMIOIAYIC-UHFFFAOYSA-N |