Nombre: ethyl 5-(3,4-bis(benzyloxy)-5-nitrophenyl)-1-methyl-2-(2-(trifluoromethyl)pyridin-3-yl)-1H-pyrrole-3-carboxylate
SMILES:
CCOC(=O)c1cc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)c([N+](=O)[O-])c2)n(C)c1-c1cccnc1C(F)(F)FMolecular Processing
Molecular formula
C34H28F3N3O6
Molecular weight
631.61
Exact mass
631.193
XLogP
8.02
TPSA
105.72
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
46
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
163.24
Supplementary Information
Obteniendo detalles…
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