N-[rel-(1R,5S)-8-(5-chloro-2-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,5S)-8-(5-chloro-2-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
N-[rel-(1R,5S)-8-(5-chloro-2-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | T651-0766 |
| Compound Name: | N-[rel-(1R,5S)-8-(5-chloro-2-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | COc1ccc(cc1C(N1[C@H]2CC[C@@H]1CC(C2)NC(c1ccncc1)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6224 |
| logD: | 1.622 |
| logSw: | -2.7549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.764 |
| InChI Key: | XRGVYQLRCDEXHN-ALOPSCKCSA-N |