5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-fluorobenzamide
Chemical Structure Depiction of
5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-fluorobenzamide
5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | S639-3625 |
| Compound Name: | 5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-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(ccc1F)[Cl])=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7652 |
| logD: | 0.4771 |
| logSw: | -3.5873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.51 |
| InChI Key: | GCFKGUFAEQKUQO-LRDDRELGSA-N |