Название: [(4R,9aS)-6-oxo-4-(3,4,5-trifluorophenyl)octahydropyrido[2,1-c][1,4]oxazin-7-yl]phosphonic acid diethyl ester
SMILES:
CCOP(=O)(OCC)C1CC[C@H]2COC[C@@H](c3cc(F)c(F)c(F)c3)N2C1=OMolecular Processing
Molecular formula
C18H23F3NO5P
Molecular weight
421.35
Exact mass
421.1266
XLogP
3.8
TPSA
65.07
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
94.39
Supplementary Information
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