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124959-67-7 | 1,2-Ethanediamine, N2-[4-benzo[b]thien-2-yl-6-(2-thienyl)-2-pyrimidinyl]-N1,N1-dimethyl-, hydrobromide (1:2)
CAS No: 124959-67-7 Catalog No: AG000MWY MDL No:
Product Description
Catalog Number:
AG000MWY
Chemical Name:
1,2-Ethanediamine, N2-[4-benzo[b]thien-2-yl-6-(2-thienyl)-2-pyrimidinyl]-N1,N1-dimethyl-, hydrobromide (1:2)
CAS Number:
124959-67-7
Molecular Formula:
C20H22Br2N4S2
Molecular Weight:
542.3535
IUPAC Name:
N-[4-(1-benzothiophen-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
InChI:
InChI=1S/C20H20N4S2/c1-24(2)10-9-21-20-22-15(18-8-5-11-25-18)13-16(23-20)19-12-14-6-3-4-7-17(14)26-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChI Key:
OYVVEJNCLMIDQC-UHFFFAOYSA-N
SMILES:
CN(CCNc1nc(cc(n1)c1cccs1)c1cc2c(s1)cccc2)C.Br.Br
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.113g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.528g/mol
Monoisotopic Mass:
380.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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