SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C(F)(F)F)Oc2ccc(Br)cc21Molecular Processing
Molecular formula
C26H32BrF3N2O4
Molecular weight
573.45
Exact mass
572.1498
XLogP
5.68
TPSA
79.82
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
133.9
Supplementary Information
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