Basic information
- Standard SMILES
O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2ccncc12- InChIKey
YIIYJUWHKOBZDM-UHFFFAOYSA-N- Molecular formula
- C18H14F3N3O
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.10889656
Names & identifiers
- Preferred name
- N-isoquinolin-8-yl-N'-[4-(trifluoromethyl)benzyl]urea
- IUPAC
- 1-isoquinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
Names & synonyms
N-isoquinolin-8-yl-N'-[4-(trifluoromethyl)benzyl]ureaSCHEMBL4025640
Database identifiers
- PubChem CID
- 10088904
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
6 records
Compound notes
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