1-(1,3-Benzodioxol-5-ylcarbonyl)-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-12-yl]piperidine-4-carboxamide Trifluoroacetate
Basic information
- Standard SMILES
O=C(Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.O=C(O)C(F)(F)F- InChIKey
AYHQTSLBQQEASU-UHFFFAOYSA-N- Molecular formula
- C34H30ClF3N6O6
- Average molar mass
- 711.1 g/mol
- Monoisotopic mass
- 710.1867449
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-ylcarbonyl)-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-12-yl]piperidine-4-carboxamide Trifluoroacetate
- IUPAC
- 1-(1,3-benzodioxole-5-carbonyl)-N-(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
Names & synonyms
1-(1,3-Benzodioxol-5-ylcarbonyl)-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-12-yl]piperidine-4-carboxamide TrifluoroacetateSCHEMBL4369441
Database identifiers
- PubChem CID
- 69018955
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
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