Name: 5-(4-{(S)-1-[(S)-6-(2-hydroxy-2-methyl-propyl)-2-oxo-6-phenyl-[1,3]oxazinan-3-yl]ethyl}-phenyl)-pyridine-2-carboxylic acid
SMILES:
C[C@@H](c1ccc(-c2ccc(C(=O)O)nc2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=OMolecular Processing
Molecular formula
C28H30N2O5
Molecular weight
474.56
Exact mass
474.2155
XLogP
5.41
TPSA
99.96
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
131.89
Supplementary Information
Details werden geladen…
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