Name: [5-(5-azido-2-fluoro-phenyl)-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)NC1=NC(C)(c2cc(N=[N+]=[N-])ccc2F)COC1Molecular Processing
Molecular formula
C16H20FN5O3
Molecular weight
349.37
Exact mass
349.155
XLogP
3.94
TPSA
108.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
90.18
Supplementary Information
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