Nombre: tert-butyl 4-(3,4-difluoro-2-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c(F)c2C(F)(F)F)CC1Molecular Processing
Molecular formula
C17H18F5NO2
Molecular weight
363.33
Exact mass
363.1258
XLogP
5.01
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
81.76
Supplementary Information
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