(5R*,6S*)-6-(3-nitro-1H-1,2,4-triazol-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-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
(5R*,6S*)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8006-7210 |
| Compound Name: | (5R*,6S*)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C18 H14 N4 O3 S2 |
| Smiles: | C1C(/C=C/c2cccs2)=CC([C@@H]([C@H]1c1cccs1)n1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.048 |
| logD: | 3.048 |
| logSw: | -3.3617 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.992 |
| InChI Key: | LZKRUCBPPWCNKQ-RHSMWYFYSA-N |