1-{4-[rel-(3R,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-1028 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 412.59 |
| Molecular Formula: | C24 H32 N2 O2 S |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccc(C)s2)C[C@H]1COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5283 |
| logD: | 2.694 |
| logSw: | -4.1251 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.566 |
| InChI Key: | VFEMIYJFGKIBOL-URXFXBBRSA-N |