2-[4-(4-hydroxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[4-(4-hydroxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(4-hydroxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-3362 |
| Compound Name: | 2-[4-(4-hydroxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(c2ccc(cc2)O)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7963 |
| logD: | 0.7955 |
| logSw: | -1.7505 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.091 |
| InChI Key: | FIGBNIDZYHAHEP-UHFFFAOYSA-N |