SMILES:
CC(C)OC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1Molecular Processing
Molecular formula
C29H32N2O3
Molecular weight
456.59
Exact mass
456.2413
XLogP
6.64
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
135.9
Supplementary Information
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