COc1cc2c(Oc3ccc4c(C)ccnc4c3)ncnc2cc1OCC1CCN(C)CC1
SMILES: COc1cc2c(Oc3ccc4c(C)ccnc4c3)ncnc2cc1OCC1CCN(C)CC1

Molecular Processing

Molecular formula
C26H28N4O3
Molecular weight
444.54
Exact mass
444.2161
XLogP
5.01
TPSA
69.6
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
128.36

Supplementary Information

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