2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | K653-0553 |
| Compound Name: | 2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | C(CNC(CSc1nc2ccccc2n1S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9001 |
| logD: | 3.9001 |
| logSw: | -4.1311 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.559 |
| InChI Key: | YYOAIVDCDCONKA-UHFFFAOYSA-N |