名称: (S)-3-cyclohexyl-2-[4-(2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
SMILES:
CC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCCC2)N2CC(Oc3c(F)cccc3F)=CC2=O)n1Molecular Processing
Molecular formula
C26H32F2N4O4
Molecular weight
502.56
Exact mass
502.2392
XLogP
4.01
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
128.92
Supplementary Information
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