N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide
Compound characteristics
| Compound ID: | S823-1057 |
| Compound Name: | N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C20 H25 N3 O2 |
| Smiles: | Cc1ccc(C)c(c1)C(N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9292 |
| logD: | 1.2072 |
| logSw: | -2.7131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.199 |
| InChI Key: | LNKIGLLHYOVKSE-APWZRJJASA-N |