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84423-87-0 | 1,2,4-Triazin-3(2H)-one, 5,6-bis(4-methoxyphenyl)-2-(2-(4-morpholinyl)ethyl)-
CAS No: 84423-87-0 Catalog No: AG004WXF MDL No:
Product Description
Catalog Number:
AG004WXF
Chemical Name:
1,2,4-Triazin-3(2H)-one, 5,6-bis(4-methoxyphenyl)-2-(2-(4-morpholinyl)ethyl)-
CAS Number:
84423-87-0
Molecular Formula:
C23H26N4O4
Molecular Weight:
422.4769
IUPAC Name:
5,6-bis(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-one
InChI:
InChI=1S/C23H26N4O4/c1-29-19-7-3-17(4-8-19)21-22(18-5-9-20(30-2)10-6-18)25-27(23(28)24-21)12-11-26-13-15-31-16-14-26/h3-10H,11-16H2,1-2H3
InChI Key:
GCWMYSIFLMZVLZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn(CCN2CCOCC2)c(=O)nc1c1ccc(cc1)OC
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.485g/mol
Monoisotopic Mass:
422.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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