Basic information
- Standard SMILES
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)C[C@H]1Cc1ccccc1- InChIKey
JTGHOFNAFYOJNE-IZZNHLLZSA-N- Molecular formula
- C33H26F9N3O2
- Average molar mass
- 667.6 g/mol
Names & identifiers
- Preferred name
- (2R*,4S*)-2-benzyl-1-(3,5-bis-(trifluoromethyl)-benzoyl)-N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine
- IUPAC
- N-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
Names & synonyms
SCHEMBL8926637JTGHOFNAFYOJNE-IZZNHLLZSA-N(2R*,4S*)-2-benzyl-1-(3,5-bis-(trifluoromethyl)-benzoyl)-N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine
Database identifiers
- PubChem CID
- 57101830
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
5 records
Compound notes
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