4-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
4-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
4-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-2382 |
| Compound Name: | 4-chloro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 338.83 |
| Molecular Formula: | C17 H23 Cl N2 O3 |
| Smiles: | C1COCCC1N1C[C@H]([C@@H](C1)CO)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2715 |
| logD: | -1.3386 |
| logSw: | -2.5762 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.117 |
| InChI Key: | GXZGZLLBCNDGAU-CJNGLKHVSA-N |