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124959-66-6 | Pyrimidine, 4-benzo[b]thien-2-yl-2-(4-methyl-1-piperazinyl)-6-(2-thienyl)-, hydrochloride (1:2)
CAS No: 124959-66-6 Catalog No: AG000MWZ MDL No:
Product Description
Catalog Number:
AG000MWZ
Chemical Name:
Pyrimidine, 4-benzo[b]thien-2-yl-2-(4-methyl-1-piperazinyl)-6-(2-thienyl)-, hydrochloride (1:2)
CAS Number:
124959-66-6
Molecular Formula:
C21H22Cl2N4S2
Molecular Weight:
465.4622
IUPAC Name:
4-(1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
InChI:
InChI=1S/C21H20N4S2/c1-24-8-10-25(11-9-24)21-22-16(19-7-4-12-26-19)14-17(23-21)20-13-15-5-2-3-6-18(15)27-20/h2-7,12-14H,8-11H2,1H3
InChI Key:
TVKRPTMUORBLAA-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc(cc(n1)c1cccs1)c1cc2c(s1)cccc2.Cl.Cl
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.113g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.539g/mol
Monoisotopic Mass:
392.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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