N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,4-dimethoxybenzamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | S639-0392 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,4-dimethoxybenzamide |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(c1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6824 |
| logD: | 0.6158 |
| logSw: | -3.2922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.602 |
| InChI Key: | NBJCLVIEEHCWMA-RXVVDRJESA-N |