200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125057-00-3
125057-00-3 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5,6-bis(phenylthio)-
CAS No: 125057-00-3 Catalog No: AG000N29 MDL No:
Product Description
Catalog Number:
AG000N29
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5,6-bis(phenylthio)-
CAS Number:
125057-00-3
Molecular Formula:
C19H18N2O4S2
Molecular Weight:
402.4872
IUPAC Name:
1-(2-hydroxyethoxymethyl)-5,6-bis(phenylsulfanyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C19H18N2O4S2/c22-11-12-25-13-21-18(27-15-9-5-2-6-10-15)16(17(23)20-19(21)24)26-14-7-3-1-4-8-14/h1-10,22H,11-13H2,(H,20,23,24)
InChI Key:
SOZIWWWURYKOKI-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.071g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.483g/mol
Monoisotopic Mass:
402.071g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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.