名称: (R)-5-[(1S,2S)-2-acetylamino-3-(3,5-difluorophenyl)-1-hydroxypropyl]-2-butyryloxymethyl-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CCCC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)C([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)CO1Molecular Processing
Molecular formula
C25H36F2N2O7
Molecular weight
514.57
Exact mass
514.2491
XLogP
2.72
TPSA
114.4
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
126.01
Supplementary Information
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