CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)NS(C)(=O)=O)c(N4CCOCC4)nc3c2)n1
SMILES: CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)NS(C)(=O)=O)c(N4CCOCC4)nc3c2)n1

Molecular Processing

Molecular formula
C24H29N5O5S2
Molecular weight
531.66
Exact mass
531.161
XLogP
1.99
TPSA
122.97
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
140.13

Supplementary Information

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