COc1ccc(Cn2cc(-c3ccnc(NC(C)(C)C)c3)c(-c3cccc(N=C(c4ccccc4)c4ccccc4)c3)n2)cc1
SMILES: COc1ccc(Cn2cc(-c3ccnc(NC(C)(C)C)c3)c(-c3cccc(N=C(c4ccccc4)c4ccccc4)c3)n2)cc1

Molecular Processing

Molecular formula
C39H37N5O
Molecular weight
591.76
Exact mass
591.2998
XLogP
9.05
TPSA
64.33
H-bond donors
1
H-bond acceptors
5
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
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
184.55

Supplementary Information

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