6-CHLORO-N-(4-CHLORO-6-((3-METHOXYPROPYL)(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)AMINO)-1,3,5-TRIAZIN-2-YL)-N,N'-BIS(3-METHOXYPROPYL)-N'-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)-1,3,5-TRIAZINE-2,4-DIAMINE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P8K88YMZ3J
EPA CompTox DTXSID60234208

Structure

InChI Key FCOVUJOIIADTQB-UHFFFAOYSA-N
Smiles COCCCN(C1CC(C)(C)NC(C)(C)C1)c1nc(nc(Cl)n1)N(CCCOC)c1nc(nc(Cl)n1)N(CCCOC)C1CC(C)(C)NC(C)(C)C1
InChI
InChI=1S/C36H63Cl2N11O3/c1-33(2)21-25(22-34(3,4)45-33)47(15-12-18-50-9)29-39-27(37)41-31(43-29)49(17-14-20-52-11)32-42-28(38)40-30(44-32)48(16-13-19-51-10)26-23-35(5,6)46-36(7,8)24-26/h25-26,45-46H,12-24H2,1-11H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H63Cl2N11O3
Molecular Weight 767.45
AlogP 5.84
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 18.0
Polar Surface Area 138.81
Heavy Atoms 52.0

Cross References

Resources Reference
CAS NUMBER 85099-19-0
NORMAN SUSDAT
FDA SRS P8K88YMZ3J
PubChem 11970896
ChemSpider 10144277.0
CONTENTS