SMILES:
CC(=O)Nc1cccc2c1c(Sc1ccc(-c3cnco3)cc1)c(C)n2CC(=O)OMolecular Processing
Molecular formula
C22H19N3O4S
Molecular weight
421.48
Exact mass
421.1096
XLogP
4.8
TPSA
97.36
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
114.68
Supplementary Information
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