COc1cc2c(Oc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1OCC1CCN(C)CC1
SMILES: COc1cc2c(Oc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1OCC1CCN(C)CC1

Molecular Processing

Molecular formula
C26H30N4O3
Molecular weight
446.55
Exact mass
446.2318
XLogP
5.25
TPSA
72.5
H-bond donors
1
H-bond acceptors
6
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
0.385
Molar refractivity
129.65

Supplementary Information

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