N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetamide
Compound characteristics
| Compound ID: | S639-0436 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetamide |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | CC1=CC(C)=NC(N1CC(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1891 |
| logD: | -0.9352 |
| logSw: | -1.8064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.679 |
| InChI Key: | CHSGXDXENMWFFP-PMACEKPBSA-N |