SMILES:
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC3(CNC3)C2)c(-c2ccn[nH]2)c1Molecular Processing
Molecular formula
C22H21ClF2N6O2
Molecular weight
474.9
Exact mass
474.1383
XLogP
3.69
TPSA
95.17
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
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
119.77
Supplementary Information
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