SMILES:
CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc3nnc(C(F)(F)F)n3n1)C2Molecular Processing
Molecular formula
C17H21F3N6O2
Molecular weight
398.39
Exact mass
398.1678
XLogP
2.73
TPSA
75.86
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
92.88
Supplementary Information
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