(5R*,6S*)-6-(4-nitro-1H-imidazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
Chemical Structure Depiction of
(5R*,6S*)-6-(4-nitro-1H-imidazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
(5R*,6S*)-6-(4-nitro-1H-imidazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8006-2520 |
| Compound Name: | (5R*,6S*)-6-(4-nitro-1H-imidazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C19 H15 N3 O3 S2 |
| Smiles: | C1C(/C=C/c2cccs2)=CC([C@@H]([C@H]1c1cccs1)n1cc(nc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.209 |
| logD: | 3.209 |
| logSw: | -3.3896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.827 |
| InChI Key: | AKCYRUIIQGBLSN-DNVCBOLYSA-N |