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823220-87-7 | Piperazine, 1-acetyl-4-[6-ethenyl-2-(methylsulfonyl)-4-pyrimidinyl]-
CAS No: 823220-87-7 Catalog No: AG0054IQ MDL No:
Product Description
Catalog Number:
AG0054IQ
Chemical Name:
Piperazine, 1-acetyl-4-[6-ethenyl-2-(methylsulfonyl)-4-pyrimidinyl]-
CAS Number:
823220-87-7
Molecular Formula:
C13H18N4O3S
Molecular Weight:
310.3720
IUPAC Name:
1-[4-(6-ethenyl-2-methylsulfonylpyrimidin-4-yl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C13H18N4O3S/c1-4-11-9-12(15-13(14-11)21(3,19)20)17-7-5-16(6-8-17)10(2)18/h4,9H,1,5-8H2,2-3H3
InChI Key:
OCUILEPJRRYQIH-UHFFFAOYSA-N
SMILES:
C=Cc1cc(nc(n1)S(=O)(=O)C)N1CCN(CC1)C(=O)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.372g/mol
Monoisotopic Mass:
310.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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