2-chloro-5-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
2-chloro-5-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
2-chloro-5-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-2639 |
| Compound Name: | 2-chloro-5-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 350.78 |
| Molecular Formula: | C16 H16 Cl F N4 O2 |
| Smiles: | C1[C@H]([C@@H](CN1c1ncccn1)CO)NC(c1cc(ccc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3 |
| logD: | 2.3 |
| logSw: | -3.2903 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.738 |
| InChI Key: | HQZAXACGLCVUCJ-YGRLFVJLSA-N |