Name: tert-butyl 4-(2-oxooctahydro-1H-benzimidazol-1-yl)-1,4′-bipiperidine-1′-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(N2CCC(N3C(=O)NC4CCCCC43)CC2)CC1Molecular Processing
Molecular formula
C22H38N4O3
Molecular weight
406.57
Exact mass
406.2944
XLogP
3.19
TPSA
65.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
111.84
Supplementary Information
Details werden geladen…
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