Name: ethyl 8-chloro-1-[3,5-difluoro-6-(p-methoxybenzylamino)-4-methylpyridine-2-yl]-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
SMILES:
CCOC(=O)c1cn(-c2nc(NCc3ccc(OC)cc3)c(F)c(C)c2F)c2c(Cl)c(F)c(F)cc2c1=OMolecular Processing
Molecular formula
C26H20ClF4N3O4
Molecular weight
549.91
Exact mass
549.1078
XLogP
5.7
TPSA
82.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
133.2
Supplementary Information
Details werden geladen…
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