الاسم: 1,1-Dimethylethyl 3-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]propanoate
SMILES:
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)OC(C)(C)C)nccc34)no2)cc1C#NMolecular Processing
Molecular formula
C28H28N4O4
Molecular weight
484.56
Exact mass
484.2111
XLogP
5.88
TPSA
111.13
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
135.12
Supplementary Information
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