CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)C4CCCN4C4CC4)ncn3)cccc2s1
SMILES: CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)C4CCCN4C4CC4)ncn3)cccc2s1

Molecular Processing

Molecular formula
C28H25F3N6O3S
Molecular weight
582.61
Exact mass
582.1661
XLogP
6.09
TPSA
109.34
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
41
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
147.85

Supplementary Information

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