N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | S639-3718 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | CCOc1ccc(CC(N[C@@H]2CN(C[C@H]2CN(C)C)c2ncccn2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9307 |
| logD: | -0.4152 |
| logSw: | -2.3068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.42 |
| InChI Key: | LQJJRRIBDDCUKD-HKUYNNGSSA-N |