SMILES:
CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCC(C)S(N)(=O)=OMolecular Processing
Molecular formula
C23H28N6O3S
Molecular weight
468.58
Exact mass
468.1944
XLogP
3.22
TPSA
139.01
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
129.81
Supplementary Information
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