Cc1cc(-c2ccc(C#N)cc2)nc(-c2cccc(-c3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)n1
SMILES: Cc1cc(-c2ccc(C#N)cc2)nc(-c2cccc(-c3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)n1

Molecular Processing

Molecular formula
C27H25N5O2S
Molecular weight
483.6
Exact mass
483.1729
XLogP
5.13
TPSA
108.63
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
135.66

Supplementary Information

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