SMILES:
COc1ccc(C2COCCO2)c2sc(NC(=O)N3CCOCC3)nc12Molecular Processing
Molecular formula
C17H21N3O5S
Molecular weight
379.44
Exact mass
379.1202
XLogP
2.26
TPSA
82.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
97.09
Supplementary Information
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