SMILES:
CCCc1nc2c(C)cc(-c3coc(C)n3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1Molecular Processing
Molecular formula
C29H27N3O3
Molecular weight
465.55
Exact mass
465.2052
XLogP
6.67
TPSA
81.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
136.64
Supplementary Information
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