4-{[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]methyl}benzonitrile
4-{[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S824-2673 |
| Compound Name: | 4-{[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 293.37 |
| Molecular Formula: | C18 H19 N3 O |
| Smiles: | C(c1ccc(C#N)cc1)N1C[C@@H](CO)[C@@H](C1)c1ccncc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5475 |
| logD: | -0.1391 |
| logSw: | -1.6843 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.532 |
| InChI Key: | ZUJCAJZZUHHJAY-QZTJIDSGSA-N |