SMILES:
Cc1ccc(-c2c(C#N)c(CC(C)C)nc3ccc(OCCOCC(=O)OC(C)(C)C)cc23)cc1Molecular Processing
Molecular formula
C29H34N2O4
Molecular weight
474.6
Exact mass
474.2519
XLogP
6.02
TPSA
81.44
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
137.33
Supplementary Information
Details werden geladen…
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