N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | S639-3693 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1ccc(c(c1)OC)OC)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2925 |
| logD: | -0.9956 |
| logSw: | -2.0501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.771 |
| InChI Key: | PSUZMQBALXKCQE-HOTGVXAUSA-N |