1-{4-[rel-(3R,4R)-1-[(5-methylfuran-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-methylfuran-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
Compound ID: | S995-0657 |
Compound Name: | 1-{4-[rel-(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
Molecular Weight: | 396.53 |
Molecular Formula: | C24 H32 N2 O3 |
Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccc(C)o2)C[C@H]1COc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.8965 |
logD: | 2.3727 |
logSw: | -3.7336 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 35.811 |
InChI Key: | VKOLTNFKIWNXAC-ZJSXRUAMSA-N |