rel-(3aR,7aR)-3a-(fluoromethyl)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-5-(methanesulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-3a-(fluoromethyl)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-5-(methanesulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-3a-(fluoromethyl)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-5-(methanesulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | CM2408-3302 |
| Compound Name: | rel-(3aR,7aR)-3a-(fluoromethyl)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-5-(methanesulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 410.48 |
| Molecular Formula: | C19 H24 F2 N4 O2 S |
| Smiles: | CS(N1CC[C@H]2CN(Cc3c[nH]nc3c3ccc(cc3)F)C[C@]2(C1)CF)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6991 |
| logD: | -2.456 |
| logSw: | -2.5759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.531 |
| InChI Key: | OQBXBJWYSYKFOY-APWZRJJASA-N |