SMILES:
CC(C)c1cc2c(cc1OC1(C)CNC1)N1C(=NNC(=O)C1C)CO2.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C20H25F3N4O5
Molecular weight
458.44
Exact mass
458.1777
XLogP
2.21
TPSA
112.49
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.55
Molar refractivity
109.14
Supplementary Information
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