Name: tert-butyl[11-(3-chloro-4-fluorobenzyl)-9-methoxy-1,8,10-trioxo-1,3,4,5,6,8,10,11,12,13-decahydro-2H-[1,4]diazocino[2,1-a]-2,6-naphthyridin-2-yl]acetate
SMILES:
COc1c2c(c3n(c1=O)CCCCN(CC(=O)OC(C)(C)C)C3=O)CCN(Cc1ccc(F)c(Cl)c1)C2=OMolecular Processing
Molecular formula
C27H31ClFN3O6
Molecular weight
548.01
Exact mass
547.1885
XLogP
3.43
TPSA
98.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
138.09
Supplementary Information
Details werden geladen…
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