N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-dimethylbenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-dimethylbenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-dimethylbenzamide
Compound characteristics
| Compound ID: | S639-0048 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-dimethylbenzamide |
| Molecular Weight: | 289.42 |
| Molecular Formula: | C17 H27 N3 O |
| Smiles: | Cc1ccc(C(N[C@@H]2CN(C)C[C@H]2CN(C)C)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9524 |
| logD: | -0.1938 |
| logSw: | -2.6542 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.364 |
| InChI Key: | BWSAEKGWESFKTE-HOCLYGCPSA-N |