Nombre: 4-[5-bromo-2-(2-morpholin-4-yl-ethoxy)-phenyl)-6-chloro-pyrimidin-2-ylamine
SMILES:
Nc1nc(Cl)cc(-c2cc(Br)ccc2OCCN2CCOCC2)n1Molecular Processing
Molecular formula
C16H18BrClN4O2
Molecular weight
413.7
Exact mass
412.0302
XLogP
2.85
TPSA
73.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
97.34
Supplementary Information
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