Basic information
- Standard SMILES
O=C(CC1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F- InChIKey
UJBAXNHICHIXJH-UHFFFAOYSA-N- Molecular formula
- C35H32ClF9N8O9S
- Average molar mass
- 947.2 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-[1-(pyridin-3-ylsulfonyl)piperidin-4-yl]acetamide tris(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-(1-pyridin-3-ylsulfonylpiperidin-4-yl)acetamide;tris(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-[1-(pyridin-3-ylsulfonyl)piperidin-4-yl]acetamide tris(trifluoroacetate)SCHEMBL4361804
Database identifiers
- PubChem CID
- 86636232
Properties
Computed structural properties
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 5
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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