(1S,5R)-3-[3-({4-[(phenylmethyl)oxy]-2-pyrimidinyl}oxy)propyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

HCID 57856489
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)(F)c1ccc([C@]23C[C@H]2CN(CCCOc2nccc(OCc4ccccc4)n2)C3)cc1
InChIKey
JIAHFNPMMMFUBJ-WIOPSUGQSA-N
Molecular formula
C26H26F3N3O2
Average molar mass
469.5 g/mol

Names & identifiers

Preferred name
(1S,5R)-3-[3-({4-[(phenylmethyl)oxy]-2-pyrimidinyl}oxy)propyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
IUPAC
(1S,5R)-3-[3-(4-phenylmethoxypyrimidin-2-yl)oxypropyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Names & synonyms

(1S,5R)-3-[3-({4-[(phenylmethyl)oxy]-2-pyrimidinyl}oxy)propyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneSCHEMBL3545005

Database identifiers

PubChem CID
57856489

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
47.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
34

Related reactions

1 records
New reaction record

Compound notes

Loading…