7-chloro-6-{[5-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethyl]-amino}-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HCID 86629639
NotesReactions
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Basic information

Standard SMILES
O=C(N1CCc2ccc(Cl)c(NCc3ccc(OCC(F)(F)F)cn3)c2CC1)C(F)(F)F
InChIKey
YYSADZFTEBTBRA-UHFFFAOYSA-N
Molecular formula
C20H18ClF6N3O2
Average molar mass
481.8 g/mol

Names & identifiers

Preferred name
7-chloro-6-{[5-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethyl]-amino}-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
IUPAC
1-[7-chloro-6-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone

Names & synonyms

7-chloro-6-{[5-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethyl]-amino}-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL506933

Database identifiers

PubChem CID
86629639

Properties

Computed structural properties

XLogP
5
Topological polar surface area
54.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

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