2-phenoxy-1-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidin-1-yl}ethan-1-one
2-phenoxy-1-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S742-0520 |
| Compound Name: | 2-phenoxy-1-{4-[rel-(2R,3R)-3-phenoxy-2-(pyridin-4-yl)azetidin-1-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C27 H29 N3 O3 |
| Smiles: | C1CN(CCC1N1C[C@@H]([C@@H]1c1ccncc1)Oc1ccccc1)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7306 |
| logD: | 2.6054 |
| logSw: | -3.8799 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.095 |
| InChI Key: | MZDOXGZXKCKVSO-AHKZPQOWSA-N |