N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,6-difluorobenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,6-difluorobenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | S639-3622 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,6-difluorobenzamide |
| Molecular Weight: | 361.39 |
| Molecular Formula: | C18 H21 F2 N5 O |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1c(cccc1F)F)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7779 |
| logD: | -0.5102 |
| logSw: | -2.1029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.51 |
| InChI Key: | BBLZHMVPVITGIM-WFASDCNBSA-N |