(2Z)-2-{2-[4-(3,5-dimethylphenyl)-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-{2-[4-(3,5-dimethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
(2Z)-2-{2-[4-(3,5-dimethylphenyl)-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: | 8015-3013 |
| Compound Name: | (2Z)-2-{2-[4-(3,5-dimethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C16 H19 N7 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(C2C/C(C3OCC2O3)=N/NC(N)=S)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8238 |
| logD: | 2.8238 |
| logSw: | -3.1456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.336 |
| InChI Key: | FFLINNROFJNWBV-WQRHYEAKSA-N |