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284681-79-4 | 4(3H)-Pyrimidinone, 2-[(2-chlorophenyl)sulfonyl]-6-(1-methylpropoxy)-
CAS No: 284681-79-4 Catalog No: AG002VFH MDL No:
Product Description
Catalog Number:
AG002VFH
Chemical Name:
4(3H)-Pyrimidinone, 2-[(2-chlorophenyl)sulfonyl]-6-(1-methylpropoxy)-
CAS Number:
284681-79-4
Molecular Formula:
C14H15ClN2O4S
Molecular Weight:
342.7979
IUPAC Name:
4-butan-2-yloxy-2-(2-chlorophenyl)sulfonyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C14H15ClN2O4S/c1-3-9(2)21-13-8-12(18)16-14(17-13)22(19,20)11-7-5-4-6-10(11)15/h4-9H,3H2,1-2H3,(H,16,17,18)
InChI Key:
BKGQUYBHMLNPHF-UHFFFAOYSA-N
SMILES:
CCC(Oc1cc(=O)[nH]c(n1)S(=O)(=O)c1ccccc1Cl)C
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.794g/mol
Monoisotopic Mass:
342.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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