SMILES:
NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=C(Br)Br)CS[C@H]12Molecular Processing
Molecular formula
C22H18Br2N2O3S
Molecular weight
550.27
Exact mass
547.9405
XLogP
4.45
TPSA
72.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
124.85
Supplementary Information
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