SMILES:
COc1cc2c(cc1Br)C(=CNc1ccc(N3CCN(C)CC3)cc1)C(=O)NC2=OMolecular Processing
Molecular formula
C22H23BrN4O3
Molecular weight
471.36
Exact mass
470.0954
XLogP
2.93
TPSA
73.91
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
120.92
Supplementary Information
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