SMILES:
Cn1c(N2CCN(CCCOc3ccc(NS(C)(=O)=O)cc3)CC2)cc(=O)n(C)c1=OMolecular Processing
Molecular formula
C20H29N5O5S
Molecular weight
451.55
Exact mass
451.1889
XLogP
0.05
TPSA
105.88
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
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
120.6
Supplementary Information
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