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
Available: 6 mg
Amount:
mg
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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
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