Name: piperazine-1,4-dicarboxylic acid tert-butyl ester 4-nitro-phenyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1Molecular Processing
Molecular formula
C16H21N3O6
Molecular weight
351.36
Exact mass
351.143
XLogP
2.65
TPSA
102.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.5
Supplementary Information
Details werden geladen…
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