SMILES:
CCCCn1c(=O)c2c(nc(C)n2S(=O)(=O)CCCCl)n(CCCC)c1=OMolecular Processing
Molecular formula
C17H27ClN4O4S
Molecular weight
418.95
Exact mass
418.1442
XLogP
2.08
TPSA
95.96
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.706
Molar refractivity
107.33
Supplementary Information
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