1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S824-2386 |
| Compound Name: | 1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 326.39 |
| Molecular Formula: | C19 H22 N2 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1C[C@@H](CO)[C@@H](C1)c1ccncc1)=O |
| Stereo: | RELATIVE |
| logP: | 1.6585 |
| logD: | 1.5512 |
| logSw: | -2.07 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.363 |
| InChI Key: | NHHUCDVUARNPDL-WMZOPIPTSA-N |