(2Z)-2-{(1R*,2R*,5S*)-2-[4-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | 8016-9228 |
| Compound Name: | (2Z)-2-{(1R*,2R*,5S*)-2-[4-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C14 H14 Cl N7 O2 S2 |
| Smiles: | C1/C([C@H]2OC[C@@H]([C@@H]1N1C(N(c3ccc(cc3)[Cl])N=N1)=S)O2)=N/NC(N)=S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4024 |
| logD: | 2.4024 |
| logSw: | -3.2175 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.336 |
| InChI Key: | JNFLYALPOZPRFZ-MAFDSLFASA-N |