Name: ethyl 1-[6-(t-butyl-amino)-5-fluoropyridine-2-yl]-8-chloro-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
SMILES:
CCOC(=O)c1cn(-c2ccc(F)c(NC(C)(C)C)n2)c2c(Cl)c(F)c(F)cc2c1=OMolecular Processing
Molecular formula
C21H19ClF3N3O3
Molecular weight
453.85
Exact mass
453.1067
XLogP
4.84
TPSA
73.22
H-bond donors
1
H-bond acceptors
5
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
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
111.56
Supplementary Information
Details werden geladen…
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