Name: (S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-oxopropyl)-6-phenyl-1,3-oxazinan-2-one
SMILES:
CC(=O)C[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1Molecular Processing
Molecular formula
C21H22BrNO3
Molecular weight
416.32
Exact mass
415.0783
XLogP
5.23
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
103.78
Supplementary Information
Details werden geladen…
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