CCc1ccc(C(=O)OC)cc1-n1cc(Br)nc(NC(C)(C)c2ccccc2OCc2ccccc2)c1=O
SMILES: CCc1ccc(C(=O)OC)cc1-n1cc(Br)nc(NC(C)(C)c2ccccc2OCc2ccccc2)c1=O

Molecular Processing

Molecular formula
C30H30BrN3O4
Molecular weight
576.49
Exact mass
575.142
XLogP
6.27
TPSA
82.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.233
Molar refractivity
152.12

Supplementary Information

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