ethyl N-[rel-(1R,5S)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[rel-(1R,5S)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]-beta-alaninate
ethyl N-[rel-(1R,5S)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | T651-0586 |
| Compound Name: | ethyl N-[rel-(1R,5S)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]-beta-alaninate |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C20 H26 F N3 O4 |
| Smiles: | CCOC(CCNC(N1[C@H]2CC[C@@H]1CC(C2)NC(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4045 |
| logD: | 1.4045 |
| logSw: | -2.2023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.12 |
| InChI Key: | ZIPNLGOIJWVUKA-IRXDYDNUSA-N |