rel-(1R,2R,5S)-2-{5-[4-(trifluoromethyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2R,5S)-2-{5-[4-(trifluoromethyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-{5-[4-(trifluoromethyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8018-1607 |
| Compound Name: | rel-(1R,2R,5S)-2-{5-[4-(trifluoromethyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 340.26 |
| Molecular Formula: | C14 H11 F3 N4 O3 |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1n1c(c3ccc(cc3)C(F)(F)F)nnn1)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6053 |
| logD: | 1.6053 |
| logSw: | -1.7968 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.464 |
| InChI Key: | FZPDWWMKSYENLV-UFGOTCBOSA-N |