N-(4-ethoxyphenyl)-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K653-0249 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C23 H20 N4 O6 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nc2ccccc2n1S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.813 |
| logD: | 4.813 |
| logSw: | -4.5744 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.519 |
| InChI Key: | GJOWHIYTSPXYNH-UHFFFAOYSA-N |