Basic information
- Standard SMILES
O=C(NCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)Nc1ccccc1-c1ccccc1- InChIKey
OZONSFNKYJAHRT-UHFFFAOYSA-N- Molecular formula
- C29H22F3N5O2
- Average molar mass
- 529.5 g/mol
Names & identifiers
- Preferred name
- 1-([1,1'-biphenyl]-2-yl)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzyl)urea
- IUPAC
- 1-(2-phenylphenyl)-3-[[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]urea
Names & synonyms
1-([1,1'-biphenyl]-2-yl)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzyl)ureaSCHEMBL17454684
Database identifiers
- PubChem CID
- 118675111
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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