COc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCCC(NC(=O)OC(C)(C)C)C4)c23)c1
SMILES: COc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCCC(NC(=O)OC(C)(C)C)C4)c23)c1

Molecular Processing

Molecular formula
C25H30BrN5O4
Molecular weight
544.45
Exact mass
543.1481
XLogP
5.08
TPSA
108.58
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
139.35

Supplementary Information

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