Nombre: tert-butyl 4-(phenyl(3-(5-(trifluoromethyl)pyridin-2-yloxy)phenyl)methylene)piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(=C(c2ccccc2)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1Molecular Processing
Molecular formula
C29H29F3N2O3
Molecular weight
510.56
Exact mass
510.213
XLogP
7.73
TPSA
51.66
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
135.26
Supplementary Information
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