SMILES:
CC(C)c1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CCC4)cc3)n2)n1CMolecular Processing
Molecular formula
C21H26N6O2S
Molecular weight
426.55
Exact mass
426.1838
XLogP
3.57
TPSA
101.8
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
116.01
Supplementary Information
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