2-[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-3529 |
| Compound Name: | 2-[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | COc1ccccc1N1C(N(C2CC(C3OCC2O3)=O)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2463 |
| logD: | 1.2463 |
| logSw: | -2.0625 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.804 |
| InChI Key: | KYIIDSFFMUGDAW-UHFFFAOYSA-N |