SMILES:
COc1cccc(C(=O)N(c2ccc(C)cc2)C2CCN(C3CCCCC3O)CC2)c1Molecular Processing
Molecular formula
C26H34N2O3
Molecular weight
422.57
Exact mass
422.2569
XLogP
4.42
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
123.84
Supplementary Information
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