SMILES:
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1Molecular Processing
Molecular formula
C22H21BrN2O3S
Molecular weight
473.39
Exact mass
472.0456
XLogP
5.17
TPSA
76.13
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
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
0.182
Molar refractivity
117.76
Supplementary Information
Details werden geladen…
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