6-(7-(2-((S)-5-AZASPIRO[2.4]HEPTAN-6-YL)-1H-IMIDAZOL-5-YL)-9,9-DIFLUORO-9H-FLUOREN-2-YL)-2-((1R,3S,4S)-2-AZABICYCLO[2.2.1]HEPTAN-3-YL)-1H-BENZO[D]IMIDAZOLE TETRAHYDROCHLORIDE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key DKMCUKSJHIRAKX-UHFFFAOYSA-N
Smiles FC1(F)c2cc(ccc2-c2ccc(cc12)-c1ccc2nc([nH]c2c1)C1NC2CCC1C2)-c1cnc([nH]1)C1CC2(CC2)CN1
InChI
InChI=1S/C35H32F2N6/c36-35(37)25-12-18(19-4-8-27-28(14-19)42-33(41-27)31-21-1-5-22(11-21)40-31)2-6-23(25)24-7-3-20(13-26(24)35)30-16-38-32(43-30)29-15-34(9-10-34)17-39-29/h2-4,6-8,12-14,16,21-22,29,31,39-40H,1,5,9-11,15,17H2,(H,38,43)(H,41,42)

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H32F2N6
Molecular Weight 574.27
AlogP 7.37
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 81.42
Heavy Atoms 43.0

Cross References

Resources Reference
CAS NUMBER 1499193-67-7
NORMAN SUSDAT
CONTENTS