CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1ccnc(-c3cccnc3)c1)=N2
SMILES: CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1ccnc(-c3cccnc3)c1)=N2

Molecular Processing

Molecular formula
C22H17F3N4O2
Molecular weight
426.4
Exact mass
426.1304
XLogP
5.02
TPSA
76.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
109.52

Supplementary Information

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