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284681-74-9 | 4(3H)-Pyrimidinone, 2-[(2-methoxyphenyl)thio]-6-(1-methylpropoxy)-
CAS No: 284681-74-9 Catalog No: AG002VFM MDL No:
Product Description
Catalog Number:
AG002VFM
Chemical Name:
4(3H)-Pyrimidinone, 2-[(2-methoxyphenyl)thio]-6-(1-methylpropoxy)-
CAS Number:
284681-74-9
Molecular Formula:
C15H18N2O3S
Molecular Weight:
306.3800
IUPAC Name:
4-butan-2-yloxy-2-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C15H18N2O3S/c1-4-10(2)20-14-9-13(18)16-15(17-14)21-12-8-6-5-7-11(12)19-3/h5-10H,4H2,1-3H3,(H,16,17,18)
InChI Key:
JOUSQDZVWBNWTC-UHFFFAOYSA-N
SMILES:
CCC(Oc1cc(=O)[nH]c(n1)Sc1ccccc1OC)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.38g/mol
Monoisotopic Mass:
306.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship studies on potential non-nucleoside DABO-like inhibitors of HIV-1 reverse transcriptase. | Antiviral chemistry & chemotherapy 20000301 |
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