N-benzyl-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
N-benzyl-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K653-0382 |
| Compound Name: | N-benzyl-2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C22 H18 N4 O5 S2 |
| Smiles: | C(c1ccccc1)NC(CSc1nc2ccccc2n1S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1254 |
| logD: | 4.1254 |
| logSw: | -4.3635 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.717 |
| InChI Key: | YZBWYHCUWZTOFB-UHFFFAOYSA-N |