SMILES:
COc1ccc(C2CCc3cc(O)ccc3C2)c(NCCc2ccc(OCCN3C4CCC3CC4)cc2)c1Molecular Processing
Molecular formula
C33H40N2O3
Molecular weight
512.69
Exact mass
512.3039
XLogP
6.33
TPSA
53.96
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
152.75
Supplementary Information
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