CCCCCCCOC(=O)n1ccnc1CN(Cc1ccc(C(=O)Nc2ccc(CN(CCC)CCC)cc2)cc1)Cc1nccn1C(=O)OCCCCCCC
SMILES: CCCCCCCOC(=O)n1ccnc1CN(Cc1ccc(C(=O)Nc2ccc(CN(CCC)CCC)cc2)cc1)Cc1nccn1C(=O)OCCCCCCC

Molecular Processing

Molecular formula
C45H65N7O5
Molecular weight
784.06
Exact mass
783.5047
XLogP
10.07
TPSA
123.82
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
26
Heavy atoms
57
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
225.11

Supplementary Information

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