CCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(C3CCCC3)nc(C)n2c(=O)[nH]1
SMILES: CCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(C3CCCC3)nc(C)n2c(=O)[nH]1

Molecular Processing

Molecular formula
C19H21ClN4O4S
Molecular weight
436.92
Exact mass
436.0972
XLogP
3.38
TPSA
106.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
109.2

Supplementary Information

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