N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methylbenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methylbenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methylbenzamide
Compound characteristics
| Compound ID: | S639-0815 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methylbenzamide |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | Cc1cccc(c1)C(N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4075 |
| logD: | -0.6592 |
| logSw: | -1.4326 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.946 |
| InChI Key: | BCSCWXPFDXNMSJ-PMACEKPBSA-N |