C1C(=O)CN(N1C(=O)CC2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3
Nom: benzyl 2-[2-(4-fluorophenyl)acetyl]-4-oxopyrazolidine-1-carboxylate
SMILES: C1C(=O)CN(N1C(=O)CC2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

Molecular Processing

Molecular formula
C19H17FN2O4
Molecular weight
356.35
Exact mass
356.1172
XLogP
2.33
TPSA
66.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
90.16

Supplementary Information

InChIKey: ANGFERNLRQXLRG-UHFFFAOYSA-N
Synonymes
SCHEMBL4858347ANGFERNLRQXLRG-UHFFFAOYSA-N2-[2-(4-fluorophenyl)acetyl]-4-oxo-pyrazolidine -1-carboxylic acid benzyl ester2-[2-(4-Fluorophenyl)acetyl]-4-oxo-pyrazolidine-1-carboxylic acid benzyl ester
Voir la source →
Impliqué dans 16 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→