(2Z)-2-{(1R*,2R*,5S*)-2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-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-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-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-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8017-5159 |
| Compound Name: | (2Z)-2-{(1R*,2R*,5S*)-2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C17 H21 N7 O2 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)N1C(N([C@H]2C/C([C@@H]3OC[C@H]2O3)=N/NC(N)=S)N=N1)=S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6133 |
| logD: | 3.6133 |
| logSw: | -3.9319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.734 |
| InChI Key: | CXYFULPYEICJMC-BECCWXCSSA-N |