1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0981 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one |
| Molecular Weight: | 350.52 |
| Molecular Formula: | C19 H30 N2 O2 S |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2cccs2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3575 |
| logD: | 1.0468 |
| logSw: | -2.4385 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.986 |
| InChI Key: | WROGMEZQXJFQNF-WMZOPIPTSA-N |