Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OCC(=O)OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)cc3O)n2)c(C)c1
SMILES: Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OCC(=O)OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)cc3O)n2)c(C)c1

Molecular Processing

Molecular formula
C42H52N4O5
Molecular weight
692.9
Exact mass
692.3938
XLogP
9.02
TPSA
106.9
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
51
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
199.31

Supplementary Information

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