SMILES:
CN(C)CC1COc2cc(Nc3ncc4c(n3)N(C)C(=O)N(c3ccccc3Br)C4)ccc2O1Molecular Processing
Molecular formula
C24H25BrN6O3
Molecular weight
525.41
Exact mass
524.1172
XLogP
4.26
TPSA
83.06
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
134.35
Supplementary Information
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