N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-fluoro-4-methoxybenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-fluoro-4-methoxybenzamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-fluoro-4-methoxybenzamide
Compound characteristics
| Compound ID: | S639-9227 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-fluoro-4-methoxybenzamide |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C22 H28 F N3 O2 |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(c1ccc(c(c1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4601 |
| logD: | 0.3935 |
| logSw: | -2.9555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.058 |
| InChI Key: | SOPIHEFOJOIMLT-ICSRJNTNSA-N |