1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | P930-5566 |
| Compound Name: | 1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C21 H21 F N4 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0607 |
| logD: | 3.0252 |
| logSw: | -3.1139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.432 |
| InChI Key: | UGKOOALQRKKPNE-SFHVURJKSA-N |