2-(3-fluorophenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one
2-(3-fluorophenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P930-5489 |
| Compound Name: | 2-(3-fluorophenyl)-1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 368.38 |
| Molecular Formula: | C20 H18 F2 N4 O |
| Smiles: | C1C[C@@H](c2nnc(c3ccc(cc3)F)[nH]2)N(C1)C(Cc1cccc(c1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.024 |
| logD: | 2.9885 |
| logSw: | -3.2835 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.933 |
| InChI Key: | UBNBGFNVJVMXDJ-KRWDZBQOSA-N |