CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](ONCc2ccc(-c3ncn(-c4ccc(OC(F)(F)C(F)(F)F)cc4)n3)cc2)[C@@H]1OC
SMILES: CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](ONCc2ccc(-c3ncn(-c4ccc(OC(F)(F)C(F)(F)F)cc4)n3)cc2)[C@@H]1OC

Molecular Processing

Molecular formula
C27H31F5N4O6
Molecular weight
602.56
Exact mass
602.2164
XLogP
4.67
TPSA
98.12
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
137.69

Supplementary Information

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