SMILES:
CCOC(=O)c1csc(Nc2cnc(CN)c3cc(OC)c(OC)cc23)n1.ClMolecular Processing
Molecular formula
C18H21ClN4O4S
Molecular weight
424.91
Exact mass
424.0972
XLogP
3.51
TPSA
108.59
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.278
Molar refractivity
111.34
Supplementary Information
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