Basic information
- CAS
1408075-57-9- Standard SMILES
O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C(F)(F)F- InChIKey
UHAXAQMWKPYYOJ-UHFFFAOYSA-N- Molecular formula
- C24H19Cl2F3N6O
- Average molar mass
- 535.3 g/mol
- Monoisotopic mass
- 534.0949491
Names & identifiers
- Preferred name
- N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-2,2,2-trifluoroacetamide
- IUPAC
- N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-2,2,2-trifluoroacetamide
Names & synonyms
CHEMBL2180212SCHEMBL16413461UHAXAQMWKPYYOJ-UHFFFAOYSA-NDTXSID6011151551408075-57-9N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]-2,2,2-trifluoroacetamideN-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-2,2,2-trifluoroacetamideN-{1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}-2,2,2-trifluoroacetamide
Database identifiers
- CAS
1408075-57-9- PubChem CID
- 71452012
- DTXSID
DTXSID601115155- ChEMBL
CHEMBL2180212
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 763
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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