Cc1cc(Br)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
SMILES: Cc1cc(Br)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

Molecular Processing

Molecular formula
C20H27BrN2O3
Molecular weight
423.35
Exact mass
422.1205
XLogP
4.51
TPSA
49.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
105.32

Supplementary Information

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