C=COC(=O)N1CC(=O)C2=C(C1)NC1=C(C2c2ccc(F)c(Br)c2)S(=O)(=O)CCC1
SMILES: C=COC(=O)N1CC(=O)C2=C(C1)NC1=C(C2c2ccc(F)c(Br)c2)S(=O)(=O)CCC1

Molecular Processing

Molecular formula
C20H18BrFN2O5S
Molecular weight
497.34
Exact mass
496.0104
XLogP
3.11
TPSA
92.78
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
110.31

Supplementary Information

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