COc1cc2nc(-c3cccc(NC(=O)CN4CCOCC4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCN1CCCC1
SMILES: COc1cc2nc(-c3cccc(NC(=O)CN4CCOCC4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCN1CCCC1

Molecular Processing

Molecular formula
C39H46N8O6
Molecular weight
722.85
Exact mass
722.354
XLogP
5.93
TPSA
145.2
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
11
Heavy atoms
53
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.41
Molar refractivity
203.23

Supplementary Information

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