SMILES:
CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2)c(OCC2CC2)nc1C(F)(F)F)C1CC1Molecular Processing
Molecular formula
C22H23ClF3N3O3
Molecular weight
469.89
Exact mass
469.138
XLogP
4.5
TPSA
84.34
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
111.38
Supplementary Information
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