SMILES:
CCSCn1c(=O)c(C(=O)C2=C(O)CCCC2=O)cc2cccnc21Molecular Processing
Molecular formula
C18H18N2O4S
Molecular weight
358.42
Exact mass
358.0987
XLogP
2.85
TPSA
89.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
96.98
Supplementary Information
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