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284681-63-6 | 4-Pyrimidinamine, 2-[(4-chlorophenyl)sulfonyl]-6-(1-methylpropoxy)-
CAS No: 284681-63-6 Catalog No: AG002VEI MDL No:
Product Description
Catalog Number:
AG002VEI
Chemical Name:
4-Pyrimidinamine, 2-[(4-chlorophenyl)sulfonyl]-6-(1-methylpropoxy)-
CAS Number:
284681-63-6
Molecular Formula:
C14H16ClN3O3S
Molecular Weight:
341.8131
IUPAC Name:
6-butan-2-yloxy-2-(4-chlorophenyl)sulfonylpyrimidin-4-amine
InChI:
InChI=1S/C14H16ClN3O3S/c1-3-9(2)21-13-8-12(16)17-14(18-13)22(19,20)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChI Key:
GEMBWECRCPHCSR-UHFFFAOYSA-N
SMILES:
CCC(Oc1cc(N)nc(n1)S(=O)(=O)c1ccc(cc1)Cl)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.81g/mol
Monoisotopic Mass:
341.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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