rel-(3R,4S)-4-(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-3-methoxy-1-(propan-2-yl)azetidin-2-one
Chemical Structure Depiction of
rel-(3R,4S)-4-(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-3-methoxy-1-(propan-2-yl)azetidin-2-one
rel-(3R,4S)-4-(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-3-methoxy-1-(propan-2-yl)azetidin-2-one
Compound characteristics
| Compound ID: | S743-0183 |
| Compound Name: | rel-(3R,4S)-4-(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-3-methoxy-1-(propan-2-yl)azetidin-2-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C22 H29 F N4 O2 |
| Smiles: | CC(C)N1C([C@@H]([C@@H]1C1CCN(CC1)Cc1c[nH]nc1c1ccc(cc1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4172 |
| logD: | -0.651 |
| logSw: | -2.6807 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.112 |
| InChI Key: | DGEUELZHPYCLEX-NHCUHLMSSA-N |