N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,5-dimethylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,5-dimethylbenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,5-dimethylbenzamide
Compound characteristics
| Compound ID: | S823-1500 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2,5-dimethylbenzamide |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C19 H28 N2 O3 |
| Smiles: | Cc1ccc(C)c(c1)C(N[C@@H]1CN(C[C@H]1CO)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8432 |
| logD: | -0.767 |
| logSw: | -2.4584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.117 |
| InChI Key: | MJFGTDQBZFYYKC-QAPCUYQASA-N |