SMILES:
COC1(c2cc(F)cc(Sc3ccc(NC(C)=O)cc3)c2)CCN(CC(F)(F)F)C1Molecular Processing
Molecular formula
C21H22F4N2O2S
Molecular weight
442.48
Exact mass
442.1338
XLogP
5.05
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
107.07
Supplementary Information
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