Nombre: 3-benzyl-3-formyl-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCNC(C=O)(Cc2ccccc2)C1Molecular Processing
Molecular formula
C17H24N2O3
Molecular weight
304.39
Exact mass
304.1787
XLogP
2.01
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
84.75
Supplementary Information
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