N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxy-2-methylbenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxy-2-methylbenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxy-2-methylbenzamide
Compound characteristics
| Compound ID: | S639-0887 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxy-2-methylbenzamide |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | Cc1c(cccc1OC)C(N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7003 |
| logD: | -0.3663 |
| logSw: | -1.8847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.576 |
| InChI Key: | GHNRWQYJZLGEIZ-ICSRJNTNSA-N |