3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide
3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | S639-1250 |
| Compound Name: | 3-chloro-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 372.9 |
| Molecular Formula: | C20 H25 Cl N4 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccn2)C[C@H]1NC(c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8802 |
| logD: | -0.1865 |
| logSw: | -2.9103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.971 |
| InChI Key: | PVMAGNJKSVNESO-LPHOPBHVSA-N |