1-{4-[rel-(3R,4R)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-1000 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 438.61 |
| Molecular Formula: | C26 H38 N4 O2 |
| Smiles: | CCn1cc(CN2C[C@@H](COc3ccccc3)[C@@H](C2)C2CCN(CC2)C(C(C)C)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4607 |
| logD: | -2.1751 |
| logSw: | -3.2504 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.582 |
| InChI Key: | SUJCBLKVKLHCHE-ILBGXUMGSA-N |