名称: tert-butyl 4-(4-(1-cyanocyclobutylamino)phenyl)piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccc(NC3(C#N)CCC3)cc2)CC1Molecular Processing
Molecular formula
C20H28N4O2
Molecular weight
356.47
Exact mass
356.2212
XLogP
3.6
TPSA
68.6
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
102.28
Supplementary Information
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