Name: 4-chloro-2-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-7-(trifluoromethyl)-quinoline-3-carboxamide
SMILES:
CCSc1nc2cc(C(F)(F)F)ccc2c(Cl)c1C(=O)NCc1cccc(F)c1Molecular Processing
Molecular formula
C20H15ClF4N2OS
Molecular weight
442.87
Exact mass
442.053
XLogP
6.09
TPSA
41.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
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
0.2
Molar refractivity
105.72
Supplementary Information
Details werden geladen…
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