3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-4-fluorobenzamide
Chemical Structure Depiction of
3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-4-fluorobenzamide
3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | S639-0840 |
| Compound Name: | 3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-4-fluorobenzamide |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C20 H24 Cl F N4 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5763 |
| logD: | -0.4903 |
| logSw: | -2.6655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.946 |
| InChI Key: | GMDVTXHHTPLFTP-LPHOPBHVSA-N |