N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-cyanobenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-cyanobenzamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-cyanobenzamide
Compound characteristics
| Compound ID: | S639-0393 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-cyanobenzamide |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C22 H26 N4 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9707 |
| logD: | -0.0959 |
| logSw: | -2.6151 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.484 |
| InChI Key: | BWAVEDLHGYFCSC-SFTDATJTSA-N |