Название: (S)-2-[4-(3-cyclopropyl-2-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid ethyl ester
SMILES:
CCOC(=O)[C@H](CC(C)C)N1CC(Oc2cccc(C3CC3)c2F)=CC1=OMolecular Processing
Molecular formula
C21H26FNO4
Molecular weight
375.44
Exact mass
375.1846
XLogP
3.79
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
98.68
Supplementary Information
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