rel-(1R,5S)-8-(2-ethylbenzene-1-sulfonyl)-3-[(1-methylpiperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane
Chemical Structure Depiction of
rel-(1R,5S)-8-(2-ethylbenzene-1-sulfonyl)-3-[(1-methylpiperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane
rel-(1R,5S)-8-(2-ethylbenzene-1-sulfonyl)-3-[(1-methylpiperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane
Compound characteristics
| Compound ID: | SB48-0545 |
| Compound Name: | rel-(1R,5S)-8-(2-ethylbenzene-1-sulfonyl)-3-[(1-methylpiperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane |
| Molecular Weight: | 392.56 |
| Molecular Formula: | C21 H32 N2 O3 S |
| Smiles: | CCc1ccccc1S(N1[C@H]2CC[C@@H]1C[C@H](C2)OC1CCN(C)CC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4298 |
| logD: | -0.8658 |
| logSw: | -2.2038 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.819 |
| InChI Key: | BDHJZLCXFACUJK-RUYXUALKSA-N |