1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S995-0767 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C23 H30 N2 O2 S |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2cccs2)C[C@H]1COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9662 |
| logD: | 3.1026 |
| logSw: | -3.8475 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.566 |
| InChI Key: | RQSJXGXPBJPEOG-REWPJTCUSA-N |