Название: 2-[4-amino-3-bromo-5-(2,2,2-trifluoro-ethoxy)-phenyl]-3-cyclobutyl-propionic acid methyl ester
SMILES:
COC(=O)C(CC1CCC1)c1cc(Br)c(N)c(OCC(F)(F)F)c1Molecular Processing
Molecular formula
C16H19BrF3NO3
Molecular weight
410.23
Exact mass
409.05
XLogP
4.42
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
86.82
Supplementary Information
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