COc1ccc(N2CCN(CC3CCOCC3)CC2)c(C2CC(C)(C)CC(C)(C)C2)c1
SMILES: COc1ccc(N2CCN(CC3CCOCC3)CC2)c(C2CC(C)(C)CC(C)(C)C2)c1

Molecular Processing

Molecular formula
C27H44N2O2
Molecular weight
428.66
Exact mass
428.3403
XLogP
5.56
TPSA
24.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
129.34

Supplementary Information

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