4-bromo-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
4-bromo-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}benzamide
4-bromo-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | S639-0002 |
| Compound Name: | 4-bromo-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}benzamide |
| Molecular Weight: | 340.26 |
| Molecular Formula: | C15 H22 Br N3 O |
| Smiles: | CN(C)C[C@@H]1CN(C)C[C@H]1NC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.625 |
| logD: | -0.5212 |
| logSw: | -2.1794 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.364 |
| InChI Key: | CBCDDWOLWXWCBN-JSGCOSHPSA-N |