SMILES:
CCOc1ccc2c(C#N)c(-c3ccc(N(CC)C(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1Molecular Processing
Molecular formula
C29H33N3O3
Molecular weight
471.6
Exact mass
471.2522
XLogP
7.21
TPSA
67.49
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
137.9
Supplementary Information
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