1-{4-[rel-(3R,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0663 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C25 H32 N2 O4 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1cc(C)oc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.587 |
| logD: | 3.587 |
| logSw: | -3.675 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.21 |
| InChI Key: | JRISPZZSIFMHFR-URXFXBBRSA-N |