2-(azepan-1-yl)-1-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidin-1-yl}ethan-1-one
2-(azepan-1-yl)-1-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S759-0395 |
| Compound Name: | 2-(azepan-1-yl)-1-{4-[rel-(2R,3R)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 413.6 |
| Molecular Formula: | C25 H39 N3 O2 |
| Smiles: | CC(C)N1C[C@@H]([C@@H]1C1CCN(CC1)C(CN1CCCCCC1)=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9838 |
| logD: | -0.1589 |
| logSw: | -3.8342 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.4658 |
| InChI Key: | PGXLVLHHZXQXFG-UKILVPOCSA-N |