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Home > Pyridines > 145772-27-6
145772-27-6 | 1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-(2-pyridinyl)-
CAS No: 145772-27-6 Catalog No: AG001DDL MDL No:
Product Description
Catalog Number:
AG001DDL
Chemical Name:
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-(2-pyridinyl)-
CAS Number:
145772-27-6
Molecular Formula:
C22H18N4O2
Molecular Weight:
370.4039
IUPAC Name:
5,6-bis(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazine
InChI:
InChI=1S/C22H18N4O2/c1-27-17-10-6-15(7-11-17)20-21(16-8-12-18(28-2)13-9-16)25-26-22(24-20)19-5-3-4-14-23-19/h3-14H,1-2H3
InChI Key:
HASIIUCRZJMAPP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(nnc1c1ccc(cc1)OC)c1ccccn1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.143g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.412g/mol
Monoisotopic Mass:
370.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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