COc1cccc(C(=O)N2c3cc(Br)ccc3-n3cccc3C2C(C)(C)C)c1
SMILES: COc1cccc(C(=O)N2c3cc(Br)ccc3-n3cccc3C2C(C)(C)C)c1

Molecular Processing

Molecular formula
C23H23BrN2O2
Molecular weight
439.35
Exact mass
438.0943
XLogP
6
TPSA
34.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
115.47

Supplementary Information

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