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131407-79-9 | Pyrimidine, 4-[2,2'-bithiophen]-5-yl-2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-, hydrobromide (1:2)
CAS No: 131407-79-9 Catalog No: AG000W48 MDL No:
Product Description
Catalog Number:
AG000W48
Chemical Name:
Pyrimidine, 4-[2,2'-bithiophen]-5-yl-2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-, hydrobromide (1:2)
CAS Number:
131407-79-9
Molecular Formula:
C19H24Br2N4S3
Molecular Weight:
564.4237
IUPAC Name:
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-(5-thiophen-2-ylthiophen-2-yl)pyrimidine
InChI:
InChI=1S/C19H22N4S3/c1-22-8-10-23(11-9-22)12-14-25-19-20-7-6-15(21-19)16-4-5-18(26-16)17-3-2-13-24-17/h2-7,13H,8-12,14H2,1H3
InChI Key:
PFWNWPWEKZLEKK-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCSc1nccc(n1)c1ccc(s1)c1cccs1.Br.Br
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.593g/mol
Monoisotopic Mass:
402.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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