CCCCC(=O)NCc1ccc(C#CCCOCCCCCCN(Cc2ccccc2)CC(O)c2ccc3c(n2)COC(c2ccccc2)O3)cc1
SMILES: CCCCC(=O)NCc1ccc(C#CCCOCCCCCCN(Cc2ccccc2)CC(O)c2ccc3c(n2)COC(c2ccccc2)O3)cc1

Molecular Processing

Molecular formula
C44H53N3O5
Molecular weight
703.92
Exact mass
703.3985
XLogP
8.05
TPSA
93.15
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
20
Heavy atoms
52
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
204.11

Supplementary Information

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