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129224-99-3 | Pyrimidine, 4,4'-(2,5-thiophenediyl)bis[2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]- (9CI)
CAS No: 129224-99-3 Catalog No: AG000YYQ MDL No:
Product Description
Catalog Number:
AG000YYQ
Chemical Name:
Pyrimidine, 4,4'-(2,5-thiophenediyl)bis[2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]- (9CI)
CAS Number:
129224-99-3
Molecular Formula:
C26H36N8S3
Molecular Weight:
556.8126
IUPAC Name:
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-[5-[2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidine
InChI:
InChI=1S/C26H36N8S3/c1-31-9-13-33(14-10-31)17-19-35-25-27-7-5-21(29-25)23-3-4-24(37-23)22-6-8-28-26(30-22)36-20-18-34-15-11-32(2)12-16-34/h3-8H,9-20H2,1-2H3
InChI Key:
FSCNSMIKGLOTIM-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCSc1nccc(n1)c1ccc(s1)c1ccnc(n1)SCCN1CCN(CC1)C
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.223g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.81g/mol
Monoisotopic Mass:
556.223g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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