SMILES:
CC(=O)N1CSC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OMolecular Processing
Molecular formula
C16H17N3O6S
Molecular weight
379.39
Exact mass
379.0838
XLogP
-0.32
TPSA
116.25
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
90.9
Supplementary Information
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