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88300-35-0 | 1,2,4-Triazine, 3-(4-methoxy-1-piperidinyl)-5,6-bis(4-methylphenyl)-
CAS No: 88300-35-0 Catalog No: AG00499D MDL No:
Product Description
Catalog Number:
AG00499D
Chemical Name:
1,2,4-Triazine, 3-(4-methoxy-1-piperidinyl)-5,6-bis(4-methylphenyl)-
CAS Number:
88300-35-0
Molecular Formula:
C23H26N4O
Molecular Weight:
374.4787
IUPAC Name:
3-(4-methoxypiperidin-1-yl)-5,6-bis(4-methylphenyl)-1,2,4-triazine
InChI:
InChI=1S/C23H26N4O/c1-16-4-8-18(9-5-16)21-22(19-10-6-17(2)7-11-19)25-26-23(24-21)27-14-12-20(28-3)13-15-27/h4-11,20H,12-15H2,1-3H3
InChI Key:
SCLPPTZSNPAHDH-UHFFFAOYSA-N
SMILES:
COC1CCN(CC1)c1nnc(c(n1)c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.211g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.488g/mol
Monoisotopic Mass:
374.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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