SMILES:
COC1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)CC1Molecular Processing
Molecular formula
C25H22ClF3N4O2S
Molecular weight
534.99
Exact mass
534.1104
XLogP
5.84
TPSA
59.72
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
134.9
Supplementary Information
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