名称: N-(2-bromo-4-(trifluoromethyl)benzyl)-2-chloro-2′-methyl-4′-(trifluoromethyl)-[1,1′-biphenyl]-4-amine
SMILES:
Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2Br)cc1ClMolecular Processing
Molecular formula
C22H15BrClF6N
Molecular weight
522.71
Exact mass
520.9981
XLogP
8.73
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.1
Supplementary Information
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