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88300-36-1 | 1,2,4-Triazine, 3-(4-ethoxy-1-piperidinyl)-5,6-bis(4-methylphenyl)-
CAS No: 88300-36-1 Catalog No: AG00499C MDL No:
Product Description
Catalog Number:
AG00499C
Chemical Name:
1,2,4-Triazine, 3-(4-ethoxy-1-piperidinyl)-5,6-bis(4-methylphenyl)-
CAS Number:
88300-36-1
Molecular Formula:
C24H28N4O
Molecular Weight:
388.5053
IUPAC Name:
3-(4-ethoxypiperidin-1-yl)-5,6-bis(4-methylphenyl)-1,2,4-triazine
InChI:
InChI=1S/C24H28N4O/c1-4-29-21-13-15-28(16-14-21)24-25-22(19-9-5-17(2)6-10-19)23(26-27-24)20-11-7-18(3)8-12-20/h5-12,21H,4,13-16H2,1-3H3
InChI Key:
QXLJEUHFFOXJIA-UHFFFAOYSA-N
SMILES:
CCOC1CCN(CC1)c1nnc(c(n1)c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.226g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.515g/mol
Monoisotopic Mass:
388.226g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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