1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0062 |
| Compound Name: | 1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1cncnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3216 |
| logD: | 1.3216 |
| logSw: | -1.4312 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.213 |
| InChI Key: | YUUAFPPMAOSDCU-IFMALSPDSA-N |