CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C
الاسم: 6-bromo-2-methyl-3-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]quinoline
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C

Molecular Processing

Molecular formula
C18H13BrF3NO2S
Molecular weight
444.27
Exact mass
442.9802
XLogP
5.4
TPSA
47.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
97.73

Supplementary Information

InChIKey: XEWLPRHOCAAEJT-UHFFFAOYSA-N
مرادفات
6-Bromo-3-methanesulfonyl-2-methyl-4-(4-trifluoromethyl-phenyl)-quinolineSCHEMBL3548448
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