3-(1,3-benzothiazol-2-yl)-1-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S757-0097 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{4-[rel-(2R,3R)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | CO[C@H]1CN(C2CCN(CC2)C(CCc2nc3ccccc3s2)=O)[C@H]1c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9253 |
| logD: | 2.3676 |
| logSw: | -2.7706 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.697 |
| InChI Key: | FHOUGVFSENAVRT-GBXCKJPGSA-N |