1-[rel-(3R,4R)-3-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0101 |
| Compound Name: | 1-[rel-(3R,4R)-3-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 438.61 |
| Molecular Formula: | C26 H38 N4 O2 |
| Smiles: | CCn1c(C)c(CN2CCC(CC2)[C@@H]2CN(C[C@H]2COc2ccccc2)C(C)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1075 |
| logD: | -1.6573 |
| logSw: | -2.9702 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.826 |
| InChI Key: | MUWGOWVMPKOUPL-OZXSUGGESA-N |