SMILES:
CCOC(=O)c1ccc(NC(=O)CC2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1Molecular Processing
Molecular formula
C22H20BrN3O5
Molecular weight
486.32
Exact mass
485.0586
XLogP
3.15
TPSA
110.26
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
119.53
Supplementary Information
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