SMILES:
Cc1onc(-c2ccccn2)c1CCc1ncc(C(=O)NC2CCS(=O)(=O)C2)s1Molecular Processing
Molecular formula
C19H20N4O4S2
Molecular weight
432.53
Exact mass
432.0926
XLogP
2.2
TPSA
115.05
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
108.52
Supplementary Information
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