Name: tert-butyl 3-(4-bromophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILES:
CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(Br)cc1)C2Molecular Processing
Molecular formula
C16H21BrN2O2
Molecular weight
353.26
Exact mass
352.0786
XLogP
3.65
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
86.62
Supplementary Information
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