{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[2-(trifluoromethoxy)phenyl]methanone
Chemical Structure Depiction of
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[2-(trifluoromethoxy)phenyl]methanone
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[2-(trifluoromethoxy)phenyl]methanone
Compound characteristics
| Compound ID: | P930-5502 |
| Compound Name: | {(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[2-(trifluoromethoxy)phenyl]methanone |
| Molecular Weight: | 420.36 |
| Molecular Formula: | C20 H16 F4 N4 O2 |
| Smiles: | C1C[C@@H](c2nnc(c3ccc(cc3)F)[nH]2)N(C1)C(c1ccccc1OC(F)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8433 |
| logD: | 3.8078 |
| logSw: | -4.088 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.483 |
| InChI Key: | AMMFXWVVXGCEQQ-HNNXBMFYSA-N |