SMILES:
Cn1c(=O)c2c(-c3cccc(F)c3)n3c(c2n(C)c1=O)C(c1ccc(Cl)o1)SC(CO)C3Molecular Processing
Molecular formula
C22H19ClFN3O4S
Molecular weight
475.93
Exact mass
475.0769
XLogP
3.29
TPSA
82.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
121.84
Supplementary Information
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