2-(4-chlorophenoxy)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
2-(4-chlorophenoxy)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S824-2448 |
| Compound Name: | 2-(4-chlorophenoxy)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 346.81 |
| Molecular Formula: | C18 H19 Cl N2 O3 |
| Smiles: | C1[C@@H](CO)[C@@H](CN1C(COc1ccc(cc1)[Cl])=O)c1ccncc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7619 |
| logD: | 1.6546 |
| logSw: | -2.4079 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.363 |
| InChI Key: | PGWIEZWDMAZRDF-YOEHRIQHSA-N |