名称: (S)-3-{[1-(2-fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-(2-methyl-phenyl)-propionic acid ethyl ester
SMILES:
CCOC(=O)C[C@H](NC(=O)c1cc(O)n(-c2ccccc2F)n1)c1ccccc1CMolecular Processing
Molecular formula
C22H22FN3O4
Molecular weight
411.43
Exact mass
411.1594
XLogP
3.45
TPSA
93.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
107.82
Supplementary Information
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