1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S995-0762 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(Cn1ccnc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.785 |
| logD: | 0.7599 |
| logSw: | -2.0582 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.494 |
| InChI Key: | YJXUBZZRKNYQAM-GMAHTHKFSA-N |