NC1=N[C@@]2(c3cc(NC(=O)c4cnc(CF)cn4)ccc3F)CO[C@H](C(F)(F)F)[C@H]2CS1
SMILES: NC1=N[C@@]2(c3cc(NC(=O)c4cnc(CF)cn4)ccc3F)CO[C@H](C(F)(F)F)[C@H]2CS1

Molecular Processing

Molecular formula
C19H16F5N5O2S
Molecular weight
473.43
Exact mass
473.0945
XLogP
3.17
TPSA
102.49
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
106.24

Supplementary Information

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