O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(Cl)no2)C1
SMILES: O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(Cl)no2)C1

Molecular Processing

Molecular formula
C19H20ClF3N4O3
Molecular weight
444.84
Exact mass
444.1176
XLogP
3.77
TPSA
71.7
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
100.21

Supplementary Information

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