3-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
3-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
3-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-2558 |
| Compound Name: | 3-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 332.79 |
| Molecular Formula: | C16 H17 Cl N4 O2 |
| Smiles: | C1[C@H]([C@@H](CN1c1ncccn1)CO)NC(c1cccc(c1)[Cl])=O |
| Stereo: | RELATIVE |
| logP: | 1.8765 |
| logD: | 1.8765 |
| logSw: | -2.647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.738 |
| InChI Key: | OCDYXDMNGCDKLT-OCCSQVGLSA-N |