N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-phenylbutanamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-phenylbutanamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-phenylbutanamide
Compound characteristics
| Compound ID: | S639-3645 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-phenylbutanamide |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(CCCc1ccccc1)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.608 |
| logD: | 0.2621 |
| logSw: | -2.8166 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.297 |
| InChI Key: | GEWKDOHGZXFHOA-OALUTQOASA-N |