ethyl 4-(2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)piperidine-1-carboxylate
ethyl 4-(2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K653-0572 |
| Compound Name: | ethyl 4-(2-{[1-(3-nitrobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)piperidine-1-carboxylate |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C23 H25 N5 O7 S2 |
| Smiles: | CCOC(N1CCC(CC1)NC(CSc1nc2ccccc2n1S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3934 |
| logD: | 3.3934 |
| logSw: | -3.8898 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.222 |
| InChI Key: | XGOCTASFFCFPOK-UHFFFAOYSA-N |