Name: 4-(2,2-Dimethylpropionyloxy)pyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CC(OC(=O)C(C)(C)C)CN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C21H30N2O6
Molecular weight
406.48
Exact mass
406.2104
XLogP
3.75
TPSA
85.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
105.61
Supplementary Information
Details werden geladen…
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