1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S995-0024 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(Cc1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.477 |
| logD: | 3.477 |
| logSw: | -3.5054 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.954 |
| InChI Key: | PEHKMJJHPGIGQK-FYYLOGMGSA-N |