O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2ccn[nH]2)c1
SMILES: O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2ccn[nH]2)c1

Molecular Processing

Molecular formula
C22H21F3N6O2
Molecular weight
458.44
Exact mass
458.1678
XLogP
3.56
TPSA
95.17
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
115.08

Supplementary Information

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