(2Z)-2-{(1R*,2R*,5S*)-2-[4-(2-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
(2Z)-2-{(1R*,2R*,5S*)-2-[4-(2-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
(2Z)-2-{(1R*,2R*,5S*)-2-[4-(2-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8016-7004 |
| Compound Name: | (2Z)-2-{(1R*,2R*,5S*)-2-[4-(2-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 395.43 |
| Molecular Formula: | C14 H14 F N7 O2 S2 |
| Smiles: | C1/C([C@@H]2OC[C@H]([C@H]1N1C(N(c3ccccc3F)N=N1)=S)O2)=N/NC(N)=S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8146 |
| logD: | 1.8146 |
| logSw: | -2.2229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.035 |
| InChI Key: | VTIXXZYLVRMASR-VMTVTJJRSA-N |