SMILES:
CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)OC(C)(C)C)c(O)nc3c2)n1Molecular Processing
Molecular formula
C23H27N3O4S
Molecular weight
441.55
Exact mass
441.1722
XLogP
4.12
TPSA
93.79
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
121.62
Supplementary Information
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