CCC(C)c1ccccc1N1C(=O)CS/C1=N\C(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
SMILES: CCC(C)c1ccccc1N1C(=O)CS/C1=N\C(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

Molecular Processing

Molecular formula
C29H25F3N6O3S
Molecular weight
594.62
Exact mass
594.1661
XLogP
7.01
TPSA
101.71
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
155.02

Supplementary Information

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