SMILES:
CN1C(=O)CCC(C)(C)c2cc(Nc3ncc(Cl)c(NC4CCCCC4NS(C)(=O)=O)n3)ccc21Molecular Processing
Molecular formula
C24H33ClN6O3S
Molecular weight
521.09
Exact mass
520.2023
XLogP
4.18
TPSA
116.32
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
140.08
Supplementary Information
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