N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | S639-0649 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | Cc1cccc(c1)OCC(N[C@@H]1CN(C[C@H]1CN(C)C)c1ccncn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9219 |
| logD: | -0.2744 |
| logSw: | -2.19 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.087 |
| InChI Key: | ITXVOLROWKNHBF-WMZOPIPTSA-N |