SMILES:
CCC(CC)COC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1Molecular Processing
Molecular formula
C24H31N5O5S
Molecular weight
501.61
Exact mass
501.2046
XLogP
3.64
TPSA
116.51
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
130.41
Supplementary Information
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