Name: tert-butyl 4-[5-(pyridin-2-ylethynyl)pyridin-2-yl]piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccc(C#Cc3ccccn3)cn2)CC1Molecular Processing
Molecular formula
C21H24N4O2
Molecular weight
364.45
Exact mass
364.1899
XLogP
2.93
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
104.47
Supplementary Information
Details werden geladen…
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