N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(Br)cc3C(F)(F)F)CC2OC2CCS(=O)(=O)CC2)CC1
SMILES: N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(Br)cc3C(F)(F)F)CC2OC2CCS(=O)(=O)CC2)CC1

Molecular Processing

Molecular formula
C22H24BrF3N2O6S2
Molecular weight
613.47
Exact mass
612.0211
XLogP
3.15
TPSA
130.4
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
125.11

Supplementary Information

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