Cc1cnc(C(=O)Nc2ccc(F)c([C@]34CO[C@H](C(F)(F)F)[C@H]3CSC(N)=N4)c2)cn1
SMILES: Cc1cnc(C(=O)Nc2ccc(F)c([C@]34CO[C@H](C(F)(F)F)[C@H]3CSC(N)=N4)c2)cn1

Molecular Processing

Molecular formula
C19H17F4N5O2S
Molecular weight
455.44
Exact mass
455.1039
XLogP
3.01
TPSA
102.49
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
106.17

Supplementary Information

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