CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)OC(C)(C)C)c(OCC4CCOC4)nc3c2)n1
SMILES: CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)OC(C)(C)C)c(OCC4CCOC4)nc3c2)n1

Molecular Processing

Molecular formula
C28H35N3O5S
Molecular weight
525.67
Exact mass
525.2297
XLogP
4.83
TPSA
92.02
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
144.37

Supplementary Information

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