2-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluorobenzamide
Chemical Structure Depiction of
2-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluorobenzamide
2-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluorobenzamide
Compound characteristics
| Compound ID: | S639-3657 |
| Compound Name: | 2-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluorobenzamide |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C18 H21 Cl F N5 O |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cc(ccc1[Cl])F)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7545 |
| logD: | 0.4664 |
| logSw: | -3.6228 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.51 |
| InChI Key: | XFKTYLPJJXAORF-LRDDRELGSA-N |