Name: 9-(3-chloro-4-fluorobenzyl)-3-(hydroxymethyl)-7-methoxy-3,4,10,11-tetrahydro[1,4]oxazino[3,4-a]-2,6-naphthyridine-1,6,8(9H)-trione
SMILES:
COc1c2c(c3n(c1=O)CC(CO)OC3=O)CCN(Cc1ccc(F)c(Cl)c1)C2=OMolecular Processing
Molecular formula
C20H18ClFN2O6
Molecular weight
436.82
Exact mass
436.0837
XLogP
1.38
TPSA
98.07
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
103.4
Supplementary Information
Details werden geladen…
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