Nom: 2-[2-(4-Fluorophenyl)acetyl]-4-(4-nitro-phenoxycarbonyloxy)-pyrazolidine-1-carboxylic acid benzyl ester
SMILES:
O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1Molecular Processing
Molecular formula
C26H22FN3O8
Molecular weight
523.47
Exact mass
523.1391
XLogP
4.26
TPSA
128.52
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
129.14
Supplementary Information
Récupération des détails…
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