C#CC(=O)NC1CCCN(C(=O)C(C)N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)C1
SMILES: C#CC(=O)NC1CCCN(C(=O)C(C)N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)C1

Molecular Processing

Molecular formula
C25H27ClN4O5S
Molecular weight
531.03
Exact mass
530.1391
XLogP
1.5
TPSA
115.89
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
135.44

Supplementary Information

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