Basic information
- Standard SMILES
O=C(NCc1ccc(N2C3CCCC2CC3)c(C(F)(F)F)c1)Nc1cccc2[nH]ncc12- InChIKey
DCSZKXVLNDMKDL-UHFFFAOYSA-N- Molecular formula
- C23H24F3N5O
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- N-[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]-N'-1H-indazol-4-ylurea
- IUPAC
- 1-[[4-(8-azabicyclo[3.2.1]octan-8-yl)-3-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea
Names & synonyms
N-[4-(8-azabicyclo[3.2.1]oct-8-yl)-3-(trifluoromethyl)benzyl]-N'-1H-indazol-4-ylureaSCHEMBL5026121
Database identifiers
- PubChem CID
- 22337696
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 665
Related reactions
2 records
Compound notes
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