Nombre: 2-[N-(5-Bromo-2-(2-chloroprop-2-en-1-yloxy)benzyl)-N-ethylamino]-5-cyanopyridine
SMILES:
C=C(Cl)COc1ccc(Br)cc1CN(CC)c1ccc(C#N)cn1Molecular Processing
Molecular formula
C18H17BrClN3O
Molecular weight
406.71
Exact mass
405.0244
XLogP
4.87
TPSA
49.15
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
100.31
Supplementary Information
Obteniendo detalles…
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