SMILES:
CC(C)(C)OC(=O)NC1=NC(C)(c2cc(-c3cncnc3)c(F)cc2F)CCS1Molecular Processing
Molecular formula
C20H22F2N4O2S
Molecular weight
420.49
Exact mass
420.1432
XLogP
4.65
TPSA
76.47
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
108.62
Supplementary Information
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