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284681-69-2 | 4(3H)-Pyrimidinone, 2-[(3-chlorophenyl)thio]-6-(1-methylpropoxy)-
CAS No: 284681-69-2 Catalog No: AG002VFR MDL No:
Product Description
Catalog Number:
AG002VFR
Chemical Name:
4(3H)-Pyrimidinone, 2-[(3-chlorophenyl)thio]-6-(1-methylpropoxy)-
CAS Number:
284681-69-2
Molecular Formula:
C14H15ClN2O2S
Molecular Weight:
310.7991
IUPAC Name:
4-butan-2-yloxy-2-(3-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C14H15ClN2O2S/c1-3-9(2)19-13-8-12(18)16-14(17-13)20-11-6-4-5-10(15)7-11/h4-9H,3H2,1-2H3,(H,16,17,18)
InChI Key:
KHMJZVOYEGSHAZ-UHFFFAOYSA-N
SMILES:
CCC(Oc1cc(=O)[nH]c(n1)Sc1cccc(c1)Cl)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.796g/mol
Monoisotopic Mass:
310.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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