SMILES:
Cc1nc(-c2cncc(N(C)Cc3ccc(OC(F)F)cc3)n2)sc1C(=O)NCc1ccc(F)cc1Molecular Processing
Molecular formula
C25H22F3N5O2S
Molecular weight
513.55
Exact mass
513.1446
XLogP
5.22
TPSA
80.24
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
130.63
Supplementary Information
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