{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[4-(trifluoromethyl)phenyl]methanone
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
Compound ID: | P930-5488 |
Compound Name: | {(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[4-(trifluoromethyl)phenyl]methanone |
Molecular Weight: | 404.37 |
Molecular Formula: | C20 H16 F4 N4 O |
Smiles: | C1C[C@@H](c2nnc(c3ccc(cc3)F)[nH]2)N(C1)C(c1ccc(cc1)C(F)(F)F)=O |
Stereo: | ABSOLUTE |
logP: | 3.6226 |
logD: | 3.5871 |
logSw: | -3.7307 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.46 |
InChI Key: | MDZGHIALBKUUMF-INIZCTEOSA-N |