SMILES:
CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)O)c(O)nc3c2)n1Molecular Processing
Molecular formula
C19H19N3O4S
Molecular weight
385.45
Exact mass
385.1096
XLogP
2.86
TPSA
104.79
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
103.41
Supplementary Information
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