SMILES:
CCN(CC)CCN(C)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1Molecular Processing
Molecular formula
C26H27ClF3N5OS
Molecular weight
550.05
Exact mass
549.1577
XLogP
6
TPSA
53.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
143.72
Supplementary Information
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