SMILES:
CCC1(CC)CCC(c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1Molecular Processing
Molecular formula
C25H39BrN2O2
Molecular weight
479.5
Exact mass
478.2195
XLogP
6.97
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
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
0.72
Molar refractivity
128.39
Supplementary Information
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