200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125057-01-4
125057-01-4 | 2,4(1H,3H)-Pyrimidinedione, 5-benzoyl-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-
CAS No: 125057-01-4 Catalog No: AG000N28 MDL No:
Product Description
Catalog Number:
AG000N28
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-benzoyl-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-
CAS Number:
125057-01-4
Molecular Formula:
C20H18N2O5S
Molecular Weight:
398.4323
IUPAC Name:
5-benzoyl-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
InChI:
InChI=1S/C20H18N2O5S/c23-11-12-27-13-22-19(28-15-9-5-2-6-10-15)16(18(25)21-20(22)26)17(24)14-7-3-1-4-8-14/h1-10,23H,11-13H2,(H,21,25,26)
InChI Key:
LHHWRCJUDXWEQC-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1Sc1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.433g/mol
Monoisotopic Mass:
398.094g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| A new class of HIV-1-specific 6-substituted acyclouridine derivatives: synthesis and anti-HIV-1 activity of 5- or 6-substituted analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT). | Journal of medicinal chemistry 19910101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.