4-(1,3-benzothiazol-2-yl)-1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one
Compound characteristics
| Compound ID: | S253-0328 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | COCCc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(CCCc2nc3ccccc3s2)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2388 |
| logD: | 3.2388 |
| logSw: | -3.3142 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.457 |
| InChI Key: | WYPQHXPJPGGHKM-BJWYYQGGSA-N |