CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)C2(c3ccc(N(C)C)cc3C)OC(=O)c3ccccc32)cc1
SMILES: CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)C2(c3ccc(N(C)C)cc3C)OC(=O)c3ccccc32)cc1

Molecular Processing

Molecular formula
C45H58N2O2
Molecular weight
658.97
Exact mass
658.4498
XLogP
12.08
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
19
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
207.33

Supplementary Information

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