SMILES:
COc1cc2c(cc1Nc1ncc(Cl)c(NC3CCCCC3NS(C)(=O)=O)n1)CCN(CCO)CC2Molecular Processing
Molecular formula
C24H35ClN6O4S
Molecular weight
539.1
Exact mass
538.2129
XLogP
2.55
TPSA
128.71
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
141.9
Supplementary Information
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