CCOC(=O)c1ccc(NC(=O)C[C@H]2[C@H](C)Cc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1
SMILES: CCOC(=O)c1ccc(NC(=O)C[C@H]2[C@H](C)Cc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1

Molecular Processing

Molecular formula
C23H22BrN3O5
Molecular weight
500.35
Exact mass
499.0743
XLogP
3.39
TPSA
110.26
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
124.08

Supplementary Information

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