SMILES:
CNCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1ClMolecular Processing
Molecular formula
C21H22BrCl2N5O3
Molecular weight
543.25
Exact mass
541.0283
XLogP
3.59
TPSA
87.97
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
128.77
Supplementary Information
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