1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(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-(1H-imidazol-1-yl)ethan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(1H-imidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S995-0694 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(1H-imidazol-1-yl)ethan-1-one |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(Cn1ccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7379 |
| logD: | 1.5741 |
| logSw: | -1.8508 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.758 |
| InChI Key: | NNJYVHBCMBYRPK-UNMCSNQZSA-N |