1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one
Compound characteristics
| Compound ID: | P930-5509 |
| Compound Name: | 1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C16 H19 F N4 O2 |
| Smiles: | COCCC(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1749 |
| logD: | 1.1394 |
| logSw: | -1.9522 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.547 |
| InChI Key: | KWCRFOOTBAUXLJ-ZDUSSCGKSA-N |