5-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2-fluorobenzamide
Chemical Structure Depiction of
5-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2-fluorobenzamide
5-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | S639-1273 |
| Compound Name: | 5-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2-fluorobenzamide |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C20 H24 Cl F N4 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccn2)C[C@H]1NC(c1cc(ccc1F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3143 |
| logD: | 0.2477 |
| logSw: | -3.5478 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.971 |
| InChI Key: | XTZZZAYMGOEYKN-LIRRHRJNSA-N |