SMILES:
C[C@H]1[C@H](OCC(C)(C)C)OC[C@H]([C@@H](O)[C@@H](N)Cc2cc(F)cc(Br)c2)N1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C24H38BrFN2O5
Molecular weight
533.48
Exact mass
532.1948
XLogP
4.23
TPSA
94.25
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
128.26
Supplementary Information
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