4-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
4-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
4-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-2555 |
| Compound Name: | 4-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 316.33 |
| Molecular Formula: | C16 H17 F N4 O2 |
| Smiles: | C1[C@H]([C@@H](CN1c1ncccn1)CO)NC(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2428 |
| logD: | 1.2428 |
| logSw: | -1.7699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.738 |
| InChI Key: | BXFXDPIJMXLQHU-OCCSQVGLSA-N |