COc1cc2ncnc(Oc3ccc4c(C(=O)NCc5ccc(C(=O)Nc6ccccc6N)cc5)cccc4c3)c2cc1OC
SMILES: COc1cc2ncnc(Oc3ccc4c(C(=O)NCc5ccc(C(=O)Nc6ccccc6N)cc5)cccc4c3)c2cc1OC

Molecular Processing

Molecular formula
C35H29N5O5
Molecular weight
599.65
Exact mass
599.2169
XLogP
6.36
TPSA
137.69
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
45
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.086
Molar refractivity
173.08

Supplementary Information

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