SMILES:
Cc1sc(C=NNC(=O)OC(C)(C)C)cc1-c1nc(-c2cccc(OCC(=O)O)c2)cs1Molecular Processing
Molecular formula
C22H23N3O5S2
Molecular weight
473.58
Exact mass
473.1079
XLogP
5.17
TPSA
110.11
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
125.69
Supplementary Information
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