SMILES:
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)c(C(C)(C)CC)c1Molecular Processing
Molecular formula
C26H35NO3
Molecular weight
409.57
Exact mass
409.2617
XLogP
6.28
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
123.65
Supplementary Information
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