Name: tert-Butyl 8-[2-(4-Cyanophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC2CCC(C1)N2CCOc1ccc(C#N)cc1Molecular Processing
Molecular formula
C20H27N3O3
Molecular weight
357.45
Exact mass
357.2052
XLogP
3.02
TPSA
65.8
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
97.98
Supplementary Information
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