2-Bromo-4-(2-{(5-ethylpyrimidin-2-yl)[4-(trifluoromethyl)benzyl]amino}ethyl)phenol
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Basic information
- Standard SMILES
CCc1cnc(N(CCc2ccc(O)c(Br)c2)Cc2ccc(C(F)(F)F)cc2)nc1- InChIKey
BJWYFMCFYBXEMT-UHFFFAOYSA-N- Molecular formula
- C22H21BrF3N3O
- Average molar mass
- 480.3 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-4-(2-{(5-ethylpyrimidin-2-yl)[4-(trifluoromethyl)benzyl]amino}ethyl)phenol
- IUPAC
- 2-bromo-4-[2-[(5-ethylpyrimidin-2-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]phenol
Names & synonyms
2-Bromo-4-(2-{(5-ethylpyrimidin-2-yl)[4-(trifluoromethyl)benzyl]amino}ethyl)phenolSCHEMBL4575226
Database identifiers
- PubChem CID
- 59643233
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 508
Related reactions
1 records
Compound notes
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