(2E)-2-{2-[4-(3-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
(2E)-2-{2-[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
(2E)-2-{2-[4-(3-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: | 8015-2250 |
| Compound Name: | (2E)-2-{2-[4-(3-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: | C1C(C2COC(C\1=N/NC(N)=S)O2)N1C(N(c2cccc(c2)[Cl])N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.452 |
| logD: | 2.452 |
| logSw: | -3.3897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.336 |
| InChI Key: | CVYJFYQUCKADBU-RQZCQDPDSA-N |