rel-(1R,5S)-3-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}oxy)-8-(methanesulfonyl)-8-azabicyclo[3.2.1]octane
Chemical Structure Depiction of
rel-(1R,5S)-3-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}oxy)-8-(methanesulfonyl)-8-azabicyclo[3.2.1]octane
rel-(1R,5S)-3-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}oxy)-8-(methanesulfonyl)-8-azabicyclo[3.2.1]octane
Compound characteristics
| Compound ID: | SB48-0233 |
| Compound Name: | rel-(1R,5S)-3-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}oxy)-8-(methanesulfonyl)-8-azabicyclo[3.2.1]octane |
| Molecular Weight: | 424.61 |
| Molecular Formula: | C21 H36 N4 O3 S |
| Smiles: | CCn1c(C)c(CN2CCC(CC2)O[C@H]2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0151 |
| logD: | -5.5336 |
| logSw: | -1.2435 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.925 |
| InChI Key: | RCYJNZGGRAIELN-RUYXUALKSA-N |