이름: 5-(S)-[2-(R)-acetylamino-3-(3,5-difluorophenyl)-1-(R)-hydroxypropyl]-2-(S)-(3-methylbutyl)-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(=O)N[C@H](Cc1cc(F)cc(F)c1)[C@@H](O)[C@@H]1CO[C@@H](CCC(C)C)CN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C25H38F2N2O5
Molecular weight
484.58
Exact mass
484.2749
XLogP
3.81
TPSA
88.1
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
124.21
Supplementary Information
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