SMILES:
CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3CNS(=O)(=O)c3ccccc3)nc2N1C1CCCC1Molecular Processing
Molecular formula
C26H30N6O3S
Molecular weight
506.63
Exact mass
506.21
XLogP
3.52
TPSA
108.39
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
137.95
Supplementary Information
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