3-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]benzonitrile
3-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S831-2686 |
| Compound Name: | 3-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 307.35 |
| Molecular Formula: | C18 H17 N3 O2 |
| Smiles: | C1[C@@H](CO)[C@@H](CN1C(c1cccc(C#N)c1)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7352 |
| logD: | 0.7352 |
| logSw: | -1.7552 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.067 |
| InChI Key: | CUILXPAEMVZQTH-JKSUJKDBSA-N |