الاسم: 6-[5-(3-[1,3]Dioxan-2-yl-propyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-2-methyl-quinoline
SMILES:
Cc1ccc2cc(-c3nnc(CCCC4OCCCO4)n3C)ccc2n1Molecular Processing
Molecular formula
C20H24N4O2
Molecular weight
352.44
Exact mass
352.1899
XLogP
3.42
TPSA
62.06
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
99.72
Supplementary Information
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