4-butyl-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexane-1-carboxamide
4-butyl-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | G952-0861 |
Compound Name: | 4-butyl-N-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexane-1-carboxamide |
Molecular Weight: | 427.57 |
Molecular Formula: | C22 H29 N5 O2 S |
Smiles: | CCCCC1CCC(CC1)C(Nc1nn2c(c3ccc(cc3)OCC)nnc2s1)=O |
Stereo: | ACHIRAL |
logP: | 5.7355 |
logD: | 5.7316 |
logSw: | -5.4027 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.441 |
InChI Key: | HMSLXKMQVFZGFP-UHFFFAOYSA-N |