TRIFENAGREL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 59X5ME2O06

Structure

InChI Key KGVYOGLFOPNPDJ-UHFFFAOYSA-N
Smiles CN(C)CCOc1ccccc1c2[nH]c(c3ccccc3)c(n2)c4ccccc4
InChI
InChI=1S/C25H25N3O/c1-28(2)17-18-29-22-16-10-9-15-21(22)25-26-23(19-11-5-3-6-12-19)24(27-25)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25N3O1
Molecular Weight 383.2
AlogP 5.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 41.15
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 84203-09-8
NORMAN SUSDAT
FDA SRS 59X5ME2O06
CONTENTS