(2E)-2-{2-[4-amino-3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
(2E)-2-{2-[4-amino-3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
(2E)-2-{2-[4-amino-3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8015-3563 |
| Compound Name: | (2E)-2-{2-[4-amino-3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 533.63 |
| Molecular Formula: | C24 H23 N9 O2 S2 |
| Smiles: | C1C(C2COC(C\1=N/NC(N)=S)O2)N1C(N(C(=N1)n1c(cc(c2ccccc2)n1)c1ccccc1)N)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4349 |
| logD: | 3.4348 |
| logSw: | -3.7917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 104.787 |
| InChI Key: | PVVAXQAEUKPXFZ-WPWMEQJKSA-N |