Nom: 2-[2-(4-Fluorophenyl)acetyl]-4-(2,2-dimethylpropionyloxy)-pyrazolidine 1-carboxylic acid 1-benzyl ester
SMILES:
CC(C)(C)C(=O)OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1Molecular Processing
Molecular formula
C24H27FN2O5
Molecular weight
442.49
Exact mass
442.1904
XLogP
3.72
TPSA
76.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
114.49
Supplementary Information
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