CCOC(=O)C1=C(N2CCS(=O)(=O)CC2)OC(=Cc2c[nH]c3ncccc23)C1=O
SMILES: CCOC(=O)C1=C(N2CCS(=O)(=O)CC2)OC(=Cc2c[nH]c3ncccc23)C1=O

Molecular Processing

Molecular formula
C19H19N3O6S
Molecular weight
417.44
Exact mass
417.0995
XLogP
1.01
TPSA
118.66
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
104.05

Supplementary Information

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