2-methyl-1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)propan-1-one
Chemical Structure Depiction of
2-methyl-1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)propan-1-one
2-methyl-1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S995-0338 |
| Compound Name: | 2-methyl-1-(4-{rel-(3R,4R)-4-(phenoxymethyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)propan-1-one |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C26 H35 N3 O2 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2cccnc2)C[C@H]1COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6246 |
| logD: | 3.1151 |
| logSw: | -3.3665 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.598 |
| InChI Key: | WWBAXJFIYCYWEY-ILBGXUMGSA-N |