Name: N-[4-(7-bromoacetyl-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N′-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILES:
Nc1ncnn2c(C(=O)CBr)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12Molecular Processing
Molecular formula
C22H15BrF4N6O2
Molecular weight
551.3
Exact mass
550.0376
XLogP
5.36
TPSA
114.41
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
125
Supplementary Information
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