2-{[rel-(3R,4R)-1-(cyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}-N-methylacetamide
Chemical Structure Depiction of
2-{[rel-(3R,4R)-1-(cyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}-N-methylacetamide
2-{[rel-(3R,4R)-1-(cyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}-N-methylacetamide
Compound characteristics
| Compound ID: | S831-1461 |
| Compound Name: | 2-{[rel-(3R,4R)-1-(cyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}-N-methylacetamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | CNC(COC[C@@H]1CN(C[C@H]1c1ccccn1)C(C1CCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2861 |
| logD: | 1.2855 |
| logSw: | -2.1739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.144 |
| InChI Key: | YQEDBSHAGYBQRA-DLBZAZTESA-N |