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(9S)-8-N-[4-(methylidene-lambda3-bromanyl)pyridin-2-yl]-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide

HCID 145083992
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
No structure available

Basic information

InChIKey
XQQAETILWBIDSM-YPMHNXCESA-N
Molecular formula
C20H20BrF3N6O2
Average molar mass
513.3 g/mol

Names & identifiers

Preferred name
(9S)-8-N-[4-(methylidene-lambda3-bromanyl)pyridin-2-yl]-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
IUPAC
(9S)-8-N-[4-(methylidene-λ3-bromanyl)-2-pyridinyl]-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide

Names & synonyms

XQQAETILWBIDSM-YPMHNXCESA-N(9S)-8-N-[4-(methylidene-lambda3-bromanyl)pyridin-2-yl]-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide

Database identifiers

PubChem CID
145083992

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
90.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32
Formal charge
0
Complexity
741

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes