CC1(C)CCC(c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1
SMILES: CC1(C)CCC(c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1

Molecular Processing

Molecular formula
C23H35BrN2O2
Molecular weight
451.45
Exact mass
450.1882
XLogP
6.19
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
119.15

Supplementary Information

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