SMILES:
COC(F)(c1ccc2c(c1)c(NCC(=O)NC1CNC1)nn2C)C(F)(F)FMolecular Processing
Molecular formula
C16H19F4N5O2
Molecular weight
389.35
Exact mass
389.1475
XLogP
1.4
TPSA
80.21
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
89.85
Supplementary Information
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