Name: tert-butyl 4-allyl-3-[(2-nitrophenyl)carbamoyl]-3-[(trifluoroacetyl)amino]pyrrolidine-1-carboxylate
SMILES:
C=CCC1CN(C(=O)OC(C)(C)C)CC1(NC(=O)C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H25F3N4O6
Molecular weight
486.45
Exact mass
486.1726
XLogP
3.39
TPSA
130.88
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
114.77
Supplementary Information
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