rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)-2-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)-2-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)-2-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | CM2408-3322 |
| Compound Name: | rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)-2-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C20 H27 F N4 O3 S |
| Smiles: | COc1ccccc1c1c(CN2C[C@@H]3CCN(C[C@@]3(C2)CF)S(C)(=O)=O)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5259 |
| logD: | -2.3681 |
| logSw: | -2.4871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.161 |
| InChI Key: | DKLKTCXMMRXGFL-UZLBHIALSA-N |