N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide bis(trifluoroacetate)

HCID 86636208
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Basic information

Standard SMILES
O=C(CC1CCNCC1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIKey
WGEFLCXCHMXPNU-UHFFFAOYSA-N
Molecular formula
C28H28ClF6N7O5
Average molar mass
692 g/mol

Names & identifiers

Preferred name
N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide bis(trifluoroacetate)
IUPAC
N-(6-chloro-2,4,8,18,22-pentazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-piperidin-4-ylacetamide;bis(2,2,2-trifluoroacetic acid)

Names & synonyms

N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide bis(trifluoroacetate)SCHEMBL1075158

Database identifiers

PubChem CID
86636208

Properties

Computed structural properties

Topological polar surface area
178 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
17
Rotatable bonds
3
Heavy atoms
47

Related reactions

14 records
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Linked notes

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