SMILES:
COC(=O)c1sc(C#CC(C)(C)C)cc1N(NC(=O)C(F)(F)F)C(=O)C1CCC(C)CC1Molecular Processing
Molecular formula
C22H27F3N2O4S
Molecular weight
472.53
Exact mass
472.1644
XLogP
4.69
TPSA
75.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
114.8
Supplementary Information
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