Name: (S)-6-(2-hydroxy-2-methyl-propyl)-6-phenyl-3-[(S)-1-(4-piperidin-4-yl-phenyl)-ethyl]-[1,3]oxazinan-2-one
SMILES:
C[C@@H](c1ccc(C2CCNCC2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=OMolecular Processing
Molecular formula
C27H36N2O3
Molecular weight
436.6
Exact mass
436.2726
XLogP
5.11
TPSA
61.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
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
0.519
Molar refractivity
126.54
Supplementary Information
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