SMILES:
CCN1CCCC1CNC(=O)c1cc(S(C)(=O)=O)cc2c1OC(C)C2.ClMolecular Processing
Molecular formula
C18H27ClN2O4S
Molecular weight
402.94
Exact mass
402.138
XLogP
2.05
TPSA
75.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.611
Molar refractivity
103.2
Supplementary Information
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