SMILES:
CNC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1ClMolecular Processing
Molecular formula
C18H17BrCl2N4O2
Molecular weight
472.17
Exact mass
469.9912
XLogP
5.07
TPSA
58.87
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
111.28
Supplementary Information
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