SMILES:
COC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(=O)O)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1ClMolecular Processing
Molecular formula
C21H18ClF3N4O4S
Molecular weight
514.91
Exact mass
514.0689
XLogP
3.25
TPSA
104.12
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
117.54
Supplementary Information
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