(2Z)-2-{(1R*,2R*,5S*)-2-[4-(4-iodophenyl)-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-(4-iodophenyl)-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-(4-iodophenyl)-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: | 8017-5158 |
| Compound Name: | (2Z)-2-{(1R*,2R*,5S*)-2-[4-(4-iodophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 503.34 |
| Molecular Formula: | C14 H14 I N7 O2 S2 |
| Smiles: | C1/C([C@@H]2OC[C@H]([C@H]1N1C(N(c3ccc(cc3)I)N=N1)=S)O2)=N/NC(N)=S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0183 |
| logD: | 3.0183 |
| logSw: | -3.3509 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.336 |
| InChI Key: | QDTVQLDYBGUGBU-MAFDSLFASA-N |