Name: [5-(1-Benzyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
SMILES:
c1ccc(Cn2cc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)cn2)cc1Molecular Processing
Molecular formula
C28H29N7O
Molecular weight
479.59
Exact mass
479.2434
XLogP
4.86
TPSA
72.51
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
140.65
Supplementary Information
Details werden geladen…
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