SMILES:
CN(C)CCN1C(=O)c2cccc3cc4cccc(NC(=S)Nc5ccc(Br)cc5)c4c(c23)C1=OMolecular Processing
Molecular formula
C27H23BrN4O2S
Molecular weight
547.48
Exact mass
546.0725
XLogP
5.72
TPSA
64.68
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
149.36
Supplementary Information
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