N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | S639-1664 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C21 H33 N3 O4 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cccc(c1OC)OC)=O)C1CCOCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2492 |
| logD: | -0.8631 |
| logSw: | -2.1041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.237 |
| InChI Key: | JCKFKDQBMMDTLB-YJBOKZPZSA-N |