N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-4-cyanobenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-4-cyanobenzamide
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-4-cyanobenzamide
Compound characteristics
| Compound ID: | S823-0930 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-4-cyanobenzamide |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C20 H21 N3 O2 |
| Smiles: | C(c1ccccc1)N1C[C@H]([C@@H](C1)CO)NC(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5494 |
| logD: | 0.1836 |
| logSw: | -1.8105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.712 |
| InChI Key: | LWAHLOLLJUYNGS-MOPGFXCFSA-N |