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849057-96-1 | Piperazine, 1-(2-pyrimidinyl)-4-(3-thienylacetyl)-
CAS No: 849057-96-1 Catalog No: AG004PUS MDL No:
Product Description
Catalog Number:
AG004PUS
Chemical Name:
Piperazine, 1-(2-pyrimidinyl)-4-(3-thienylacetyl)-
CAS Number:
849057-96-1
Molecular Formula:
C14H16N4OS
Molecular Weight:
288.3680
IUPAC Name:
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone
InChI:
InChI=1S/C14H16N4OS/c19-13(10-12-2-9-20-11-12)17-5-7-18(8-6-17)14-15-3-1-4-16-14/h1-4,9,11H,5-8,10H2
InChI Key:
YIODXXBZKROQQF-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncccn1)Cc1cscc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.369g/mol
Monoisotopic Mass:
288.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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