(3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone
(3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | S831-2556 |
| Compound Name: | (3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 334.78 |
| Molecular Formula: | C17 H16 Cl F N2 O2 |
| Smiles: | C1[C@@H](CO)[C@@H](CN1C(c1ccc(c(c1)[Cl])F)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.654 |
| logD: | 1.6539 |
| logSw: | -2.5812 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.011 |
| InChI Key: | OPPMBOBJGYKTGN-QWHCGFSZSA-N |