rel-(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carboxamide
Chemical Structure Depiction of
rel-(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carboxamide
rel-(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carboxamide
Compound characteristics
| Compound ID: | T651-0578 |
| Compound Name: | rel-(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carboxamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C23 H24 F N3 O4 |
| Smiles: | C1C[C@@H]2CC(C[C@H]1N2C(Nc1ccc2c(c1)OCCO2)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5573 |
| logD: | 1.5572 |
| logSw: | -2.1896 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.349 |
| InChI Key: | STBMUNSAMKUVBT-OALUTQOASA-N |