Name: N-[6-(acetyl-methyl-amino)-4-o-tolyl-pyridin-3-yl]-2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-isobutyramide
SMILES:
CC(=O)N(C)c1cc(-c2ccccc2C)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1Molecular Processing
Molecular formula
C28H27F6N3O2
Molecular weight
551.53
Exact mass
551.2007
XLogP
7.02
TPSA
53.51
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
136.38
Supplementary Information
Details werden geladen…
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