4-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]benzonitrile
4-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S824-3190 |
| Compound Name: | 4-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C19 H19 N3 O2 |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1ccncc1)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6421 |
| logD: | 1.5348 |
| logSw: | -2.0867 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.756 |
| InChI Key: | VEHGROCFXGZQJH-ROUUACIJSA-N |