2-(2H-1,3-benzodioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-(2H-1,3-benzodioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
Compound ID: | 8019-5915 |
Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
Molecular Weight: | 394.45 |
Molecular Formula: | C20 H18 N4 O3 S |
Smiles: | CC1=Nc2c(c3CC(C)(C)OCc3s2)c2nc(c3ccc4c(c3)OCO4)nn12 |
Stereo: | ACHIRAL |
logP: | 4.3822 |
logD: | 4.3822 |
logSw: | -4.689 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 56.849 |
InChI Key: | FPCPPBHSEUHKMK-UHFFFAOYSA-N |