3-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
3-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S823-4207 |
| Compound Name: | 3-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C15 H19 N3 O2 |
| Smiles: | CN(C)[C@@H]1CN(C[C@H]1CO)C(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.073 |
| logD: | -1.0302 |
| logSw: | -1.4407 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.202 |
| InChI Key: | LBNJQIYDZQRDFA-UONOGXRCSA-N |