Name: 1,1-dimethylethyl (2S,5R)-2-(aminocarbonyl)-5-[4-{[(2-fluorophenyl)methyl]oxy}-3-(methyloxy)phenyl]-2-methyl-1-pyrrolidinecarboxylate
SMILES:
COc1cc([C@H]2CC[C@@](C)(C(N)=O)N2C(=O)OC(C)(C)C)ccc1OCc1ccccc1FMolecular Processing
Molecular formula
C25H31FN2O5
Molecular weight
458.53
Exact mass
458.2217
XLogP
4.73
TPSA
91.09
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
121.37
Supplementary Information
Details werden geladen…
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