SMILES:
CSc1nc(C(F)(F)c2ccc(F)cn2)nc2c(C(=O)NC3COC3)cccc12Molecular Processing
Molecular formula
C19H15F3N4O2S
Molecular weight
420.42
Exact mass
420.0868
XLogP
3.15
TPSA
77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
100.58
Supplementary Information
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