Name: (S)-3-((S)-1-(4-((1-aminocyclohexyl)ethynyl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
SMILES:
C[C@@H](c1ccc(C#CC2(N)CCCCC2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=OMolecular Processing
Molecular formula
C30H38N2O3
Molecular weight
474.65
Exact mass
474.2882
XLogP
5.66
TPSA
75.79
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
138.58
Supplementary Information
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