SMILES:
CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3CNS(C)(=O)=O)nc2N1C1CCCC1Molecular Processing
Molecular formula
C21H28N6O3S
Molecular weight
444.56
Exact mass
444.1944
XLogP
2.09
TPSA
108.39
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
119.17
Supplementary Information
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