1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0680 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1cnccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0252 |
| logD: | 2.0252 |
| logSw: | -1.7772 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.029 |
| InChI Key: | BAELJPMTOXYPAO-FPOVZHCZSA-N |