[1-Benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

HCID 87550005
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Basic information

Standard SMILES
O=C(C1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIKey
RCSBRXKBXKQTCH-UHFFFAOYSA-N
Molecular formula
C32H31F9N4O
Average molar mass
658.6 g/mol
Monoisotopic mass
658.23541508

Names & identifiers

Preferred name
[1-Benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
IUPAC
[1-benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Names & synonyms

SCHEMBL3638063

Database identifiers

PubChem CID
87550005

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
38.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
7
Heavy atoms
46

Related reactions

1 records
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Compound notes

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