SMILES:
COc1cccc2c1C(NC1=Nc3ccc(NS(=O)(=O)C4CC4)cc3CO1)CC2Molecular Processing
Molecular formula
C21H23N3O4S
Molecular weight
413.5
Exact mass
413.1409
XLogP
3.39
TPSA
89.02
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
111.08
Supplementary Information
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