SMILES:
CC1(C)CCC(=O)Nc2ccc(Nc3ncc(Cl)c(NC4CCCCC4NS(C)(=O)=O)n3)cc21Molecular Processing
Molecular formula
C23H31ClN6O3S
Molecular weight
507.06
Exact mass
506.1867
XLogP
4.16
TPSA
125.11
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
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
0.522
Molar refractivity
135.3
Supplementary Information
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