N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | S639-1037 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cccc(c1OC)OC)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2067 |
| logD: | 0.068 |
| logSw: | -2.8356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.006 |
| InChI Key: | DTUPNCSURQNYKR-RDJZCZTQSA-N |