Название: N-(3,5-bis-trifluoromethyl-benzyl)-N-methyl-6-piperazin-1-yl-4-o-tolyl-nicotinamide
SMILES:
Cc1ccccc1-c1cc(N2CCNCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C27H26F6N4O
Molecular weight
536.52
Exact mass
536.2011
XLogP
5.78
TPSA
48.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
131.74
Supplementary Information
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