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881376-45-0 | Pyrimidine, 2-propyl-4,6-bis[4-(2-thienyl)phenyl]-
CAS No: 881376-45-0 Catalog No: AG004DGO MDL No:
Product Description
Catalog Number:
AG004DGO
Chemical Name:
Pyrimidine, 2-propyl-4,6-bis[4-(2-thienyl)phenyl]-
CAS Number:
881376-45-0
Molecular Formula:
C27H22N2S2
Molecular Weight:
438.6070
IUPAC Name:
2-propyl-4,6-bis(4-thiophen-2-ylphenyl)pyrimidine
InChI:
InChI=1S/C27H22N2S2/c1-2-5-27-28-23(19-8-12-21(13-9-19)25-6-3-16-30-25)18-24(29-27)20-10-14-22(15-11-20)26-7-4-17-31-26/h3-4,6-18H,2,5H2,1H3
InChI Key:
XZTJAHUREMIHGS-UHFFFAOYSA-N
SMILES:
CCCc1nc(cc(n1)c1ccc(cc1)c1cccs1)c1ccc(cc1)c1cccs1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.122g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.607g/mol
Monoisotopic Mass:
438.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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