SMILES:
Cc1cc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12Molecular Processing
Molecular formula
C18H18BrN3O2S
Molecular weight
420.33
Exact mass
419.0303
XLogP
4.17
TPSA
62.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
105.76
Supplementary Information
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