rel-(1R,2R)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
Chemical Structure Depiction of
rel-(1R,2R)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
rel-(1R,2R)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
Compound characteristics
| Compound ID: | 8006-2523 |
| Compound Name: | rel-(1R,2R)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one |
| Molecular Weight: | 366.4 |
| Molecular Formula: | C18 H14 N4 O3 S |
| Smiles: | C1C(=CC([C@@H]([C@H]1c1ccccc1)n1cnc(n1)[N+]([O-])=O)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2469 |
| logD: | 3.2469 |
| logSw: | -3.54 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.973 |
| InChI Key: | WQFXMBBDKDFVAK-RHSMWYFYSA-N |