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

Molecular Processing

Molecular formula
C23H26N4O4S
Molecular weight
454.55
Exact mass
454.1675
XLogP
2.99
TPSA
97.03
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
124.77

Supplementary Information

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