SMILES:
COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1Molecular Processing
Molecular formula
C22H23BrF2N4O2
Molecular weight
493.35
Exact mass
492.0972
XLogP
5.14
TPSA
59.51
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
119.15
Supplementary Information
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