Br.Br.CC1(C)Cc2nc(C3CCN(c4ncc(OC[C@H](O)CO)cn4)CC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2[C@@H](O)C1
SMILES: Br.Br.CC1(C)Cc2nc(C3CCN(c4ncc(OC[C@H](O)CO)cn4)CC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2[C@@H](O)C1

Molecular Processing

Molecular formula
C37H46Br2F6N4O4
Molecular weight
884.6
Exact mass
882.179
XLogP
8.52
TPSA
111.83
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
53
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
3
Fraction Csp3
0.595
Molar refractivity
197.3

Supplementary Information

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