SMILES:
COc1cc(C(O)CN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)c(C)cc1C#NMolecular Processing
Molecular formula
C26H31N3O5
Molecular weight
465.55
Exact mass
465.2264
XLogP
2.24
TPSA
106.26
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
125.54
Supplementary Information
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