Name: [5-(5-bromo-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(Br)ccc2F)COC1Molecular Processing
Molecular formula
C16H20BrFN2O3
Molecular weight
387.25
Exact mass
386.0641
XLogP
3.76
TPSA
59.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
89.08
Supplementary Information
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