200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 126565-13-7
126565-13-7 | 1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethyl]-1,3-bis[(2,3,4,5,6-pentafluorophenyl)methyl]-
CAS No: 126565-13-7 Catalog No: AG000SYB MDL No:
Product Description
Catalog Number:
AG000SYB
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethyl]-1,3-bis[(2,3,4,5,6-pentafluorophenyl)methyl]-
CAS Number:
126565-13-7
Molecular Formula:
C28H11F15N4O3
Molecular Weight:
736.3880
IUPAC Name:
7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione
InChI:
InChI=1S/C28H11F15N4O3/c29-13-4-1-10(16(32)19(13)35)26(38,39)46-23-22(24(48)47(25(46)49)27(40,41)11-2-5-14(30)20(36)17(11)33)45(9-44-23)7-8-50-28(42,43)12-3-6-15(31)21(37)18(12)34/h1-6,9H,7-8H2
InChI Key:
BRANLRGEABFFJE-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(COCCn2cnc3c2c(=O)n(Cc2c(F)c(F)c(c(c2F)F)F)c(=O)n3Cc2c(F)c(F)c(c(c2F)F)F)c(c(c1F)F)F
Properties
Complexity:
1260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
736.059g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
736.397g/mol
Monoisotopic Mass:
736.059g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.