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284681-89-6 | 4(1H)-Pyrimidinone, 2-(1-methylpropoxy)-6-(phenylthio)-
CAS No: 284681-89-6 Catalog No: AG002VF8 MDL No:
Product Description
Catalog Number:
AG002VF8
Chemical Name:
4(1H)-Pyrimidinone, 2-(1-methylpropoxy)-6-(phenylthio)-
CAS Number:
284681-89-6
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
IUPAC Name:
2-butan-2-yloxy-4-phenylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C14H16N2O2S/c1-3-10(2)18-14-15-12(17)9-13(16-14)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16,17)
InChI Key:
BBSORLBTHVPUAM-UHFFFAOYSA-N
SMILES:
CCC(Oc1[nH]c(Sc2ccccc2)cc(=O)n1)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.354g/mol
Monoisotopic Mass:
276.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^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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