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
Available: 5 mg
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mg
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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
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