SMILES:
COC(=O)CCc1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1CMolecular Processing
Molecular formula
C25H25F3N2O3S
Molecular weight
490.55
Exact mass
490.1538
XLogP
6.62
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
126.11
Supplementary Information
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