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4-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)triazol-4-yl]methoxy]-2,7-diphenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine

HCID 53376372
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Basic information

Standard SMILES
FC(F)(F)c1cc(-c2ccccc2)nc2nc(-c3ccccc3)nc(OCc3cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn3)c12
InChIKey
PYZZETFUUYCIPX-UHFFFAOYSA-N
Molecular formula
C33H18F20N6O
Average molar mass
894.5 g/mol
Monoisotopic mass
894.1222725

Names & identifiers

Preferred name
4-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)triazol-4-yl]methoxy]-2,7-diphenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine
IUPAC
4-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)triazol-4-yl]methoxy]-2,7-diphenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine

Names & synonyms

CHEMBL1808030DTXSID9013689634-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)triazol-4-yl]methoxy]-2,7-diphenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine

Database identifiers

PubChem CID
53376372
DTXSID
DTXSID901368963
ChEMBL
CHEMBL1808030

Properties

Computed structural properties

XLogP
10.7
Topological polar surface area
78.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
26
Rotatable bonds
14
Heavy atoms
60
Formal charge
0
Complexity
1,440

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