N,N-diethyl-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
N,N-diethyl-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K653-0346 |
| Compound Name: | N,N-diethyl-2-{[1-(2-methyl-5-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C20 H22 N4 O5 S2 |
| Smiles: | CCN(CC)C(CSc1nc2ccccc2n1S(c1cc(ccc1C)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0886 |
| logD: | 4.0886 |
| logSw: | -4.1281 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.922 |
| InChI Key: | BCYQXSSIMAAQNR-UHFFFAOYSA-N |