SMILES:
C=C(CC)C1NC(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Br)ccc12Molecular Processing
Molecular formula
C22H20BrClN2O2
Molecular weight
459.77
Exact mass
458.0397
XLogP
4.93
TPSA
58.2
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
114.62
Supplementary Information
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