Name: Intermediate 221.2
SMILES:
CCc1cc(Cl)c(F)c(C(O)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Molecular Processing
Molecular formula
C31H25BrClFN2O
Molecular weight
575.91
Exact mass
574.0823
XLogP
7.92
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.129
Molar refractivity
149.38
Supplementary Information
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