1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S831-2089 |
| Compound Name: | 1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C20 H24 N2 O2 |
| Smiles: | C(CC(N1C[C@@H](CO)[C@@H](C1)c1ccccn1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4133 |
| logD: | 2.4126 |
| logSw: | -2.6091 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.484 |
| InChI Key: | MXMJPPHHBGCZJR-ZWKOTPCHSA-N |