Name: tert-butyl 3-(4-benzylpiperazin-1-yl)azetidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC(N2CCN(Cc3ccccc3)CC2)C1Molecular Processing
Molecular formula
C19H29N3O2
Molecular weight
331.46
Exact mass
331.226
XLogP
2.42
TPSA
36.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
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
0.632
Molar refractivity
94.89
Supplementary Information
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