200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 199852-44-3
199852-44-3 | 4(3H)-Pyrimidinone, 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-(2-propen-1-ylthio)-
CAS No: 199852-44-3 Catalog No: AG002CEJ MDL No:
Product Description
Catalog Number:
AG002CEJ
Chemical Name:
4(3H)-Pyrimidinone, 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-(2-propen-1-ylthio)-
CAS Number:
199852-44-3
Molecular Formula:
C18H22N2OS
Molecular Weight:
314.4451
IUPAC Name:
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C18H22N2OS/c1-5-7-22-18-19-16(15(6-2)17(21)20-18)11-14-9-12(3)8-13(4)10-14/h5,8-10H,1,6-7,11H2,2-4H3,(H,19,20,21)
InChI Key:
FKTMKVQZPQMUGC-UHFFFAOYSA-N
SMILES:
C=CCSc1nc(Cc2cc(C)cc(c2)C)c(c(=O)[nH]1)CC
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.145g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.447g/mol
Monoisotopic Mass:
314.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV-1 activity of novel 2,3-dihydro-7H-thiazolo[3,2-a]pyrimidin-7-ones. | Journal of medicinal chemistry 19980115 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.