Basic information
- Standard SMILES
Cc1cc2c(NC(=O)NCc3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)cc2cn1- InChIKey
SAYAHDGMECJJOM-UHFFFAOYSA-N- Molecular formula
- C20H15F6N3O
- Average molar mass
- 427.3 g/mol
Names & identifiers
- Preferred name
- N-[3-Methyl-7-(trifluoromethyl)isoquinolin-5-yl]-N'-[4-(trifluoromethyl)benzyl]urea
- IUPAC
- 1-[3-methyl-7-(trifluoromethyl)isoquinolin-5-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
Names & synonyms
N-[3-Methyl-7-(trifluoromethyl)isoquinolin-5-yl]-N'-[4-(trifluoromethyl)benzyl]ureaSCHEMBL5658286
Database identifiers
- PubChem CID
- 86598043
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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