N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2,4-dimethylbenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2,4-dimethylbenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2,4-dimethylbenzamide
Compound characteristics
| Compound ID: | S639-1463 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-2,4-dimethylbenzamide |
| Molecular Weight: | 366.51 |
| Molecular Formula: | C22 H30 N4 O |
| Smiles: | Cc1ccc(C(N[C@@H]2CN(Cc3ccncc3)C[C@H]2CN(C)C)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1543 |
| logD: | 0.0876 |
| logSw: | -2.7025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.856 |
| InChI Key: | OOQJUKLSAKHOKG-FPOVZHCZSA-N |