SMILES:
CC(C)(Sc1nc(CCOc2ccc(C(=O)Nc3ccccc3)cc2)cs1)C(=O)OMolecular Processing
Molecular formula
C22H22N2O4S2
Molecular weight
442.56
Exact mass
442.1021
XLogP
4.97
TPSA
88.52
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
30
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
0.227
Molar refractivity
119.72
Supplementary Information
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