SMILES:
COc1cccc(NC(=O)CC2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)c1Molecular Processing
Molecular formula
C20H18BrN3O4
Molecular weight
444.29
Exact mass
443.0481
XLogP
2.98
TPSA
93.19
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
110.13
Supplementary Information
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