2-methyl-1-{4-[rel-(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[rel-(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
2-methyl-1-{4-[rel-(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S995-0983 |
| Compound Name: | 2-methyl-1-{4-[rel-(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 424.58 |
| Molecular Formula: | C26 H36 N2 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2ccc(C)o2)C[C@H]1COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6968 |
| logD: | 3.173 |
| logSw: | -4.267 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.343 |
| InChI Key: | YHIQQCCYRXVMSR-RCZVLFRGSA-N |