이름: (3-carbamoyl-1-{2-[(2S,4R)-2-(3-chloro-2-fluoro-benzylcarbamoyl)-4-fluoro-pyrrolidin-1-yl]-2-oxo-ethyl}-1H-indol-6-yloxy)-acetic acid methyl ester
SMILES:
COC(=O)COc1ccc2c(C(N)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1Molecular Processing
Molecular formula
C26H25ClF2N4O6
Molecular weight
562.96
Exact mass
562.1431
XLogP
2.34
TPSA
132.96
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
136.24
Supplementary Information
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