1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0903 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C24 H36 N2 O4 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(CCc1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5921 |
| logD: | 2.5921 |
| logSw: | -2.6056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.899 |
| InChI Key: | ZXQOXASBBBXQJO-IFMALSPDSA-N |