SMILES:
CCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1ClMolecular Processing
Molecular formula
C21H21BrCl2N4O3
Molecular weight
528.23
Exact mass
526.0174
XLogP
4.78
TPSA
75.94
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
125.13
Supplementary Information
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