SMILES:
CC1C(=O)NN=C2COc3cc(F)c(OC4(C)CNC4)cc3N21.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C17H18F4N4O5
Molecular weight
434.35
Exact mass
434.1213
XLogP
1.23
TPSA
112.49
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.471
Molar refractivity
95.01
Supplementary Information
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