1-{4-[rel-(3R,4R)-1-(2-ethoxybenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(2-ethoxybenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-(2-ethoxybenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0874 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(2-ethoxybenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 402.53 |
| Molecular Formula: | C23 H34 N2 O4 |
| Smiles: | CCOc1ccccc1C(N1C[C@@H](CO)[C@@H](C1)C1CCN(CC1)C(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3123 |
| logD: | 2.3123 |
| logSw: | -2.6091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.093 |
| InChI Key: | UZJFONDROMDMHE-ICSRJNTNSA-N |