1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one
1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | P930-5503 |
| Compound Name: | 1-{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C22 H23 F N4 O |
| Smiles: | C(CC(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)=O)Cc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.8709 |
| logD: | 3.8353 |
| logSw: | -4.1269 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.933 |
| InChI Key: | FMTDBCJARAJOIC-IBGZPJMESA-N |