N-[rel-(1R,5S)-8-(2H-1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,5S)-8-(2H-1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
N-[rel-(1R,5S)-8-(2H-1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | T651-0771 |
| Compound Name: | N-[rel-(1R,5S)-8-(2H-1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | C1C[C@@H]2CC(C[C@H]1N2C(c1ccc2c(c1)OCO2)=O)NC(c1ccncc1)=O |
| Stereo: | RELATIVE |
| logP: | 0.8255 |
| logD: | 0.8251 |
| logSw: | -1.2317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.249 |
| InChI Key: | WJGKARQASDFYTH-ALOPSCKCSA-N |