SMILES:
CC(C)c1csc(CCc2ccn3c(=O)c(OCC(=O)O)cnc3c2)n1Molecular Processing
Molecular formula
C18H19N3O4S
Molecular weight
373.43
Exact mass
373.1096
XLogP
2.52
TPSA
93.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
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
0.333
Molar refractivity
98.2
Supplementary Information
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