1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | P930-5517 |
| Compound Name: | 1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one |
| Molecular Weight: | 434.39 |
| Molecular Formula: | C21 H18 F4 N4 O2 |
| Smiles: | C1C[C@@H](c2nnc(c3ccc(cc3)F)[nH]2)N(C1)C(Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.0475 |
| logD: | 4.012 |
| logSw: | -4.2426 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.869 |
| InChI Key: | AONVPJPONDIIHO-KRWDZBQOSA-N |