2-(2-(2-(2-((4-(4-Acetylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
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Basic information
- Standard SMILES
CC(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1- InChIKey
AUPRIZONYJPSNI-UHFFFAOYSA-N- Molecular formula
- C27H29F3N6O2
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.23040868
Names & identifiers
- Preferred name
- 2-(2-(2-(2-((4-(4-Acetylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
- IUPAC
- 2-[2-[2-[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
Names & synonyms
2-(2-(2-(2-((4-(4-Acetylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamideCHEMBL3639910SCHEMBL14577085BDBM155537US9012461, 132-(2-(2-(2-((4-(4-Acetylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl) pyrimidin-4-yl)ethyl)phenyl)acetamide
Database identifiers
- PubChem CID
- 71209337
- ChEMBL
CHEMBL3639910
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 783
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Related reactions
2 records
Compound notes
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