N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]isoxazole-5-carboxamide Trifluoroacetate

HCID 69016902
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Basic information

Standard SMILES
O=C(Nc1cc2cc(c1)Nc1nc(ncc1Cl)Nc1cccc(c1)CC2)c1ccno1.O=C(O)C(F)(F)F
InChIKey
IXDIEZZPJFTJNM-UHFFFAOYSA-N
Molecular formula
C24H18ClF3N6O4
Average molar mass
546.9 g/mol
Monoisotopic mass
546.1030153

Names & identifiers

Preferred name
N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]isoxazole-5-carboxamide Trifluoroacetate
IUPAC
N-(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9,11,13(21),16(20),17-nonaen-11-yl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

Names & synonyms

N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]isoxazole-5-carboxamide TrifluoroacetateSCHEMBL4362986

Database identifiers

PubChem CID
69016902

Properties

Computed structural properties

Topological polar surface area
142 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
2
Heavy atoms
38

Related reactions

1 records
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Compound notes

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