SMILES:
CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1CMolecular Processing
Molecular formula
C22H18F4N4O2
Molecular weight
446.4
Exact mass
446.1366
XLogP
4.58
TPSA
78.09
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
108.95
Supplementary Information
Obteniendo detalles…
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