名称: (S)-3-{[1-(2-fluoro-phenyl)-5-(3-methyl-oxetan-3-ylmethoxy)-1H-pyrazole-3-carbonyl]-amino}-3-(2-methyl-phenyl)-propionic acid ethyl ester
SMILES:
CCOC(=O)C[C@H](NC(=O)c1cc(OCC2(C)COC2)n(-c2ccccc2F)n1)c1ccccc1CMolecular Processing
Molecular formula
C27H30FN3O5
Molecular weight
495.55
Exact mass
495.2169
XLogP
4.16
TPSA
91.68
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
130.58
Supplementary Information
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