N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | S823-1998 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-(3-methylphenoxy)acetamide |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | Cc1cccc(c1)OCC(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6406 |
| logD: | 1.6406 |
| logSw: | -1.939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.023 |
| InChI Key: | DIQZIFDMHGHLNC-ZBFHGGJFSA-N |