CC1Cc2ccc(-c3cnn(C4CCS(=O)(=O)C4)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1
SMILES: CC1Cc2ccc(-c3cnn(C4CCS(=O)(=O)C4)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

Molecular Processing

Molecular formula
C26H34N8O2S
Molecular weight
522.68
Exact mass
522.2525
XLogP
1.98
TPSA
113.48
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
145.47

Supplementary Information

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