名称: (1R,2S)-1-(4,5-diphenyloxazol-2-yl)-1-hydroxy-2-(3-methoxybenzyl)cyclohexane
SMILES:
COc1cccc(C[C@@H]2CCCC[C@]2(O)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1Molecular Processing
Molecular formula
C29H29NO3
Molecular weight
439.56
Exact mass
439.2147
XLogP
6.64
TPSA
55.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
129.93
Supplementary Information
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