200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1000576-35-1
1000576-35-1 | 5-Benzyl-2-(4-fluorobenzylthio)-6-methyl-4-phenacyloxypyrimidine
CAS No: 1000576-35-1 Catalog No: AG01F5RI MDL No:
Product Description
Catalog Number:
AG01F5RI
Chemical Name:
5-Benzyl-2-(4-fluorobenzylthio)-6-methyl-4-phenacyloxypyrimidine
CAS Number:
1000576-35-1
Molecular Formula:
C27H23FN2O2S
Molecular Weight:
458.5471
IUPAC Name:
2-[5-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone
InChI:
InChI=1S/C27H23FN2O2S/c1-19-24(16-20-8-4-2-5-9-20)26(32-17-25(31)22-10-6-3-7-11-22)30-27(29-19)33-18-21-12-14-23(28)15-13-21/h2-15H,16-18H2,1H3
InChI Key:
NXKBTZIDMIYDGV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CSc1nc(OCC(=O)c2ccccc2)c(c(n1)C)Cc1ccccc1
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.146g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.551g/mol
Monoisotopic Mass:
458.146g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.