Basic information
- Standard SMILES
CS(=O)(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F- InChIKey
UXHOPFOVFWCXQB-UHFFFAOYSA-N- Molecular formula
- C29H30ClF6N7O7S
- Average molar mass
- 770.1 g/mol
- Monoisotopic mass
- 769.1520142
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-(methylsulfonyl)piperidin-4-yl]acetamide 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-(1-methylsulfonylpiperidin-4-yl)acetamide;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-[1-(methylsulfonyl)piperidin-4-yl]acetamide bis(trifluoroacetate)SCHEMBL4361583
Database identifiers
- PubChem CID
- 86636151
Properties
Computed structural properties
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 4
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 965
Related reactions
1 records
Compound notes
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