1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}-3-(2-methoxyphenyl)propan-1-one
1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S253-0314 |
| Compound Name: | 1-{rel-(1R,5S)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C22 H29 N3 O4 |
| Smiles: | COCCc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(CCc2ccccc2OC)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5954 |
| logD: | 2.5954 |
| logSw: | -2.6956 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.872 |
| InChI Key: | AIBSHVISMIBEOQ-BCDXTJNWSA-N |