rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-(4-fluorophenyl)-1-(2-methoxyethyl)piperidin-2-one
Chemical Structure Depiction of
rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-(4-fluorophenyl)-1-(2-methoxyethyl)piperidin-2-one
rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-(4-fluorophenyl)-1-(2-methoxyethyl)piperidin-2-one
Compound characteristics
| Compound ID: | SB13-0421 |
| Compound Name: | rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6-(4-fluorophenyl)-1-(2-methoxyethyl)piperidin-2-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C24 H27 F N2 O3 |
| Smiles: | COCCN1C(CC[C@@H](C(N2CCc3ccccc3C2)=O)[C@@H]1c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0913 |
| logD: | 3.0913 |
| logSw: | -3.4511 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.103 |
| InChI Key: | XMADUPPNTWFSJD-JTHBVZDNSA-N |