COC(=O)c1cc(F)c(C)c(-n2cc(Br)nc(NC3(c4cc(F)ccc4OCc4ccccc4)CC3)c2=O)c1
SMILES: COC(=O)c1cc(F)c(C)c(-n2cc(Br)nc(NC3(c4cc(F)ccc4OCc4ccccc4)CC3)c2=O)c1

Molecular Processing

Molecular formula
C29H24BrF2N3O4
Molecular weight
596.43
Exact mass
595.0918
XLogP
6.05
TPSA
82.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
145.28

Supplementary Information

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