1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-phenylpropan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-phenylpropan-1-one
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | P930-5560 |
| Compound Name: | 1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-phenylpropan-1-one |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C21 H21 F N4 O |
| Smiles: | C1C[C@@H](c2nnc(c3ccc(cc3)F)[nH]2)N(C1)C(CCc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2898 |
| logD: | 3.2543 |
| logSw: | -3.4959 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.933 |
| InChI Key: | AXQUXFJNSWTSJU-SFHVURJKSA-N |