SMILES:
CCOC1C(OC)C(C)OC(ONCc2ccc(-c3ncn(-c4ccc(OC(F)(F)C(F)(F)F)cc4)n3)cc2)C1OCMolecular 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
5
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
137.69
Supplementary Information
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