N-[rel-(1R,5S)-8-(3,4-diethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,5S)-8-(3,4-diethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
N-[rel-(1R,5S)-8-(3,4-diethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
Compound characteristics
| Compound ID: | T651-0115 |
| Compound Name: | N-[rel-(1R,5S)-8-(3,4-diethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C24 H30 N4 O4 |
| Smiles: | CCOc1ccc(cc1OCC)C(N1[C@H]2CC[C@@H]1CC(C2)NC(c1cnc(C)cn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0277 |
| logD: | 1.0277 |
| logSw: | -2.0721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.207 |
| InChI Key: | XGSZKEWZMZRKJG-YQQQUEKLSA-N |