1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S824-2001 |
| Compound Name: | 1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C18 H20 N2 O3 |
| Smiles: | C1[C@@H](CO)[C@@H](CN1C(COc1ccccc1)=O)c1ccncc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1387 |
| logD: | 1.0314 |
| logSw: | -1.6249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.363 |
| InChI Key: | WLYYFRJRTBAJGM-RDJZCZTQSA-N |