3-(heptafluoropropyl)-8,9-dimethoxy-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-ol
Chemical Structure Depiction of
3-(heptafluoropropyl)-8,9-dimethoxy-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-ol
3-(heptafluoropropyl)-8,9-dimethoxy-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-ol
Compound characteristics
Compound ID: | 8009-1975 |
Compound Name: | 3-(heptafluoropropyl)-8,9-dimethoxy-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-ol |
Molecular Weight: | 445.34 |
Molecular Formula: | C17 H18 F7 N3 O3 |
Smiles: | CC1(C)Cc2cc(c(cc2C2=NNC(C(C(C(F)(F)F)(F)F)(F)F)(N12)O)OC)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1327 |
logD: | 3.5701 |
logSw: | -4.2303 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.323 |
InChI Key: | KKNLJPNGKFIUCA-KRWDZBQOSA-N |