SMILES:
COCCOc1cc2nncc(Nc3ccc(Br)cc3F)c2cc1OCMolecular Processing
Molecular formula
C18H17BrFN3O3
Molecular weight
422.25
Exact mass
421.0437
XLogP
4.31
TPSA
65.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
100.84
Supplementary Information
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Involved in 3 reactions→