N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(Br)cc3Cl)CC2C(=O)N2CCC(F)(F)C2)CC1
SMILES: N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(Br)cc3Cl)CC2C(=O)N2CCC(F)(F)C2)CC1

Molecular Processing

Molecular formula
C21H21BrClF2N3O4S
Molecular weight
564.84
Exact mass
563.0093
XLogP
3.31
TPSA
107.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
118.2

Supplementary Information

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