SMILES:
Cc1oc(-c2ccccc2)nc1CCSc1ccc(OC(C)(C)C(=O)O)cc1Molecular Processing
Molecular formula
C22H23NO4S
Molecular weight
397.5
Exact mass
397.1348
XLogP
5.23
TPSA
72.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
109.89
Supplementary Information
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