2-[4-(4-chloro-2,5-dimethoxyphenyl)-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-chloro-2,5-dimethoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-1702 |
| Compound Name: | 2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C15 H15 Cl N4 O5 S |
| Smiles: | COc1cc(c(cc1N1C(N(C2CC(C3OCC2O3)=O)N=N1)=S)OC)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1936 |
| logD: | 2.1936 |
| logSw: | -2.9569 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.434 |
| InChI Key: | WTGHQZIAAWZQDI-UHFFFAOYSA-N |