Name: methyl (2RS,5SR)-5-(4-fluoro-phenyl)-1-(4-ethyl-benzenesulfonyl)-pyrrolidine-2-carboxylate
SMILES:
CCc1ccc(S(=O)(=O)N2C(C(=O)OC)CCC2c2ccc(F)cc2)cc1Molecular Processing
Molecular formula
C20H22FNO4S
Molecular weight
391.46
Exact mass
391.1254
XLogP
3.46
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
99.02
Supplementary Information
Details werden geladen…
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