CCOc1cc(CC)cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1F
SMILES: CCOc1cc(CC)cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1F

Molecular Processing

Molecular formula
C52H53BrFN5O5
Molecular weight
926.93
Exact mass
925.3214
XLogP
13.01
TPSA
107.81
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
64
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
253.64

Supplementary Information

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