Name: 11-(3-chloro-4-fluorobenzyl)-9-methoxy-2-(2-methane-sulfonylethyl)-3,4,5,6,12,13-hexahydro-2H[1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(11H)-trione
SMILES:
COc1c2c(c3n(c1=O)CCCCN(CCS(C)(=O)=O)C3=O)CCN(Cc1ccc(F)c(Cl)c1)C2=OMolecular Processing
Molecular formula
C24H27ClFN3O6S
Molecular weight
540.01
Exact mass
539.1293
XLogP
2.13
TPSA
105.99
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
131.96
Supplementary Information
Details werden geladen…
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