200,000+ products from a single source!
sales@angenechem.com
137897-81-5 | 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1-[(2-hydroxyethoxy)methyl]-2,4-dioxo-6-(phenylthio)-, methyl ester
CAS No: 137897-81-5 Catalog No: AG00142F MDL No:
Product Description
Catalog Number:
AG00142F
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1-[(2-hydroxyethoxy)methyl]-2,4-dioxo-6-(phenylthio)-, methyl ester
CAS Number:
137897-81-5
Molecular Formula:
C15H16N2O6S
Molecular Weight:
352.3623
IUPAC Name:
methyl 1-(2-hydroxyethoxymethyl)-2,4-dioxo-6-phenylsulfanylpyrimidine-5-carboxylate
InChI:
InChI=1S/C15H16N2O6S/c1-22-14(20)11-12(19)16-15(21)17(9-23-8-7-18)13(11)24-10-5-3-2-4-6-10/h2-6,18H,7-9H2,1H3,(H,16,19,21)
InChI Key:
FBPAOTJTYZYAEK-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1Sc1ccccc1)C(=O)OC
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.361g/mol
Monoisotopic Mass:
352.073g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine analogues: effect of substitutions at the C-6 phenyl ring and at the C-5 position on anti-HIV-1 activity. | Journal of medicinal chemistry 19920124 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.