2-[4-(naphthalen-1-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[4-(naphthalen-1-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(naphthalen-1-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8009-3822 |
| Compound Name: | 2-[4-(naphthalen-1-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 354.39 |
| Molecular Formula: | C17 H14 N4 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(c2cccc3ccccc23)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6237 |
| logD: | 2.6237 |
| logSw: | -3.1235 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.902 |
| InChI Key: | NIKGNGJPFJMWDQ-UHFFFAOYSA-N |