SMILES:
CN(C)c1ccc(NC(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1Molecular Processing
Molecular formula
C21H23BrN4O
Molecular weight
427.35
Exact mass
426.1055
XLogP
5.2
TPSA
60.16
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
114.6
Supplementary Information
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