N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-ethoxybenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-ethoxybenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-ethoxybenzamide
Compound characteristics
| Compound ID: | S639-0803 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-ethoxybenzamide |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CCOc1ccccc1C(N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6236 |
| logD: | -0.4431 |
| logSw: | -2.0117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.156 |
| InChI Key: | VROLYFXRNWSMBS-ICSRJNTNSA-N |