SMILES:
COc1ccc(CC2c3c(O)ccc(OC)c3CCN2CC(=O)NCc2ccccn2)cc1OCMolecular Processing
Molecular formula
C27H31N3O5
Molecular weight
477.56
Exact mass
477.2264
XLogP
3.27
TPSA
93.15
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
132.01
Supplementary Information
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